Results for:
PubChem ID: 697993

3H-1,3-benzothiazole-2-thione

Compound Details

Synonymous names
2-Mercaptobenzothiazole
149-30-4
2-Benzothiazolethiol
Benzo[d]thiazole-2-thiol
Benzo[d]thiazole-2(3H)-thione
Captax
Benzothiazolethiol
MERCAPTOBENZOTHIAZOLE
1,3-Benzothiazole-2-thiol
118090-09-8
2(3H)-Benzothiazolethione
Dermacid
Benzothiazole-2-thiol
Sulfadene
2-MBT
Thiotax
Kaptax
Mertax
Rokon
Rotax
Accelerator M
Vulkacit M
Ekagom G
Accel M
Mebetizole
Mebithizol
Kaptaks
Nuodeb 84
Soxinol M
Vulkacit Mercapto
Pneumax MBT
2-Mercaptobenzthiazole
Royal MBT
Mercaptobenzothiazol
Mercaptobenzthiazole
Vulkacit Mercapto/C
2-Mercptobenzothiazole
Pennac mbt powder
mebetizol
Benzothiazole-2-thione
2-Benzothiazolinethione
Nuodex 84
Usaf gy-3
Nocceler M
Usaf xr-29
MBT
Benzothiazole, mercapto-
2-Benzothiazolyl mercaptan
2-Merkaptobenzotiazol
2-Merkaptobenzthiazol
1,3-Benzothiazol-2-yl hydrosulfide
benzothiazolyl mercaptan
AG 63
Caswell No. 541
2-sulfanyl-1,3-benzothiazole
Perkacit MBT
CHEBI:34292
3H-1,3-benzothiazole-2-thione
2-Benzothiazolethiol(9CI)
NCI-C56519
Mercaptobenzothiazole (VAN)
CCRIS 891
DTXSID1020807
HSDB 4025
NSC 2041
EINECS 205-736-8
UNII-5RLR54Z22K
Accelerator mercapto
EPA Pesticide Chemical Code 051701
5RLR54Z22K
AI3-00985
2-Mercaptobenzothioazole
2-mercapto-benzothiazole
NSC-2041
MFCD00005781
1,3-Benzothiazole-2-thione
DTXCID90807
2-Sulphanyl-1,3-benzothiazole
NSC2041
EC 205-736-8
1,3-benzothiazole-2(3H)-thione
1,3-Benzothiazol-2-yl hydrosulphide
NCGC00091643-07
NCGC00091643-08
Kaptax [Czech]
2-thiobenzothiazole
2(3H)-Benzothiazolethione, potassium salt
C7H5NS2
pennac mbt
Thiot ax
Sanceler M
Wobezit M
2-MERCAPTOBENZOTHIAZOLE (IARC)
2-MERCAPTOBENZOTHIAZOLE [IARC]
Nonflex NB
captax, zinc salt
CAS-149-30-4
captax, sodium salt
2-Merkaptobenzthiazol [Czech]
2-Merkaptobenzotiazol [Polish]
Vulkacit Mercapto/MG
Aero Promoter 412
captax, potassium salt
2-Sulfanylbenzothiazole
2-Mercapto benzothiazole
Vulkafil ZN 94TT01
captax, lead(+2) salt
captax, cobalt(+2) salt
captax, copper(+2) salt
captax, silver(+1) salt
captax, bismuth(+3) salt
captax, mercury (+2) salt
Drmacid
thione tautomer
MBT (vulcanization accelerator)
Skin Balm
MBT, captax
2-benzothiazolthiol
2-mercaptobenzthiazol
mercapto-benzothiazole
2-Benzothiazolethione
2-mercaptobenzothiazol
2-mercapto-benzthiazole
Spectrum_001669
SpecPlus_000728
155-04-4
Spectrum2_001666
Spectrum3_001665
Spectrum4_000628
Spectrum5_001400
2(3H)-Benzothiazoletione
Epitope ID:116044
Benzothiazole, 2-mercapto-
SCHEMBL23237
BSPBio_003449
KBioGR_001216
KBioSS_002149
Sulfodene Medication for Dogs
BIDD:ER0373
DivK1c_006824
SPECTRUM1504225
2-MercaptobenzothiazoleDermacid
SPBio_001851
2-Mercaptobenzothiazole, 97%
CHEMBL111654
155-04-4 (zinc salt)
WLN: T56 BN DSJ CSH
Vulkacit M, vulkacit merkapto/c
KBio1_001768
KBio2_002149
KBio2_004717
KBio2_007285
KBio3_002669
2-Mercaptobenzothiazole (2-MBT)
7778-70-3 (potassium salt)
AMY23224
MERCAPTOBENZOTHIAZOLE [HSDB]
Tox21_113450
Tox21_400016
2-MERCAPTOBENZOTHIAZOLE [MI]
BDBM50444459
c1019
CCG-39092
STK499589
MERCAPTOBENZOTHIAZOLE [WHO-DD]
AKOS000119128
AKOS002337495
1,3-Benzothiazol-2-yl hydrosulfide #
CS-W017829
DB11496
FS-1801
HY-W017113
MCULE-4331370211
4162-43-0 (copper(+2) salt)
BENZ-1,3-THIAZOLIDINE-2-THIONE
NCGC00091643-01
NCGC00091643-02
NCGC00091643-04
NCGC00091643-05
NCGC00091643-06
NCGC00091643-09
NCGC00091643-10
NCGC00091643-12
AC-11606
2,3-DIHYDROBENZOTHIAZOLE-2-THIONE
DB-042988
DB-351054
2-MERCAPTOBENZOTHIAZOLE [GREEN BOOK]
M0055
M0247
NS00000568
EN300-21479
D70518
F71266
2-Mercaptobenzothiazole, technical, >=90% (T)
AB00053232-04
A808877
A927195
AE-641/31369054
Q904160
Q-200294
BRD-K55160477-001-02-1
BRD-K55160477-001-03-9
F3066-0005
Z104499140
XO9
Microorganism:

Yes

IUPAC name3H-1,3-benzothiazole-2-thione
SMILESC1=CC=C2C(=C1)NC(=S)S2
InchiInChI=1S/C7H5NS2/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
FormulaC7H5NS2
PubChem ID697993
Molweight167.3
LogP2.4
Atoms10
Bonds0
H-bond Acceptor2
H-bond Donor1
Chemical Classificationsulfur compounds thiols thiazoles nitrogen compounds aromatic compounds benzenoids heterocyclic compounds
CHEBI-ID34292
Supernatural-IDSN0462823

mVOC Specific Details

Boiling Point
DegreeReference
0.2 NA peer reviewed
Volatilization
The Henry's Law constant for 2-mercaptobenzothiazole is estimated as 4.1X10-11 atm-cu m/mole(SRC) derived from its vapor pressure, 2.25X10-8 mm Hg(1), and water solubility, 120 mg/L(2). This Henry's Law constant indicates that 2-mercaptobenzothiazole is expected to be essentially nonvolatile from water surfaces(3). 2-Mercaptobenzothiazole's estimated Henry's Law constant indicates that volatilization from moist soil surfaces is not expected to occur(SRC). 2-Mercaptobenzothiazole is not expected to volatilize from dry soil surfaces(SRC) based upon its vapor pressure(1).
Soil Adsorption
The Koc of 2-mercaptobenzothiazole was measured as 677, 326 and 1360 in California sandy loam, California clay loam and California sandy soil respectively(1). The Koc of 2-mercaptobenzothiazole was measured as 2130, 3560 and 2590 in three different sediments(1). The Koc of 2-mercaptobenzothiazole was measured as 915, 863, 1429 and 1829 in Drummer silty clay loam, Spinks sandy loam, Ray silt loam and Lintonia sandy loam soil respectively(1). According to a classification scheme(2), these estimated Koc values suggest that 2-mercaptobenzothiazole is expected to have moderate to slight mobility in soil. The pKa of 2-mercaptobenzothiazole is 7.03(1), indicating that this compound will exist partially in anion form in the environment and anions generally do not adsorb more strongly to soils containing organic carbon and clay than their neutral counterparts(3).
Massbank-Links
Massbank Spectrum MSBNK-BAFG-CSL23111011317
Massbank Spectrum MSBNK-BAFG-CSL23111011318
Massbank Spectrum MSBNK-BAFG-CSL23111011319
Massbank Spectrum MSBNK-BAFG-CSL23111011320
Massbank Spectrum MSBNK-BAFG-CSL23111011321
Massbank Spectrum MSBNK-BAFG-CSL23111011322
Massbank Spectrum MSBNK-BAFG-CSL23111011323
Massbank Spectrum MSBNK-BAFG-CSL23111011324
Massbank Spectrum MSBNK-BAFG-CSL23111011325
Massbank Spectrum MSBNK-BAFG-CSL23111011326
Massbank Spectrum MSBNK-BAFG-CSL23111011327
Massbank Spectrum MSBNK-BAFG-CSL23111011328
Massbank Spectrum MSBNK-BAFG-CSL2311108507
Massbank Spectrum MSBNK-BAFG-CSL2311108508
Massbank Spectrum MSBNK-BAFG-CSL2311108509
Massbank Spectrum MSBNK-CASMI_2016-SM820603
Massbank Spectrum MSBNK-CASMI_2016-SM820653
Massbank Spectrum MSBNK-CASMI_2016-SM878502
Massbank Spectrum MSBNK-CASMI_2016-SM878551
Massbank Spectrum MSBNK-Eawag-EQ319001
Massbank Spectrum MSBNK-Eawag-EQ319002
Massbank Spectrum MSBNK-Eawag-EQ319003
Massbank Spectrum MSBNK-Eawag-EQ319004
Massbank Spectrum MSBNK-Eawag-EQ319005
Massbank Spectrum MSBNK-Eawag-EQ319006
Massbank Spectrum MSBNK-Eawag-EQ319007
Massbank Spectrum MSBNK-Eawag-EQ319008
Massbank Spectrum MSBNK-Eawag-EQ319009
Massbank Spectrum MSBNK-Eawag-EQ319051
Massbank Spectrum MSBNK-Eawag-EQ319052
Massbank Spectrum MSBNK-Eawag-EQ319053
Massbank Spectrum MSBNK-Eawag-EQ319054
Massbank Spectrum MSBNK-Eawag-EQ319055
Massbank Spectrum MSBNK-Eawag-EQ319056
Massbank Spectrum MSBNK-Eawag-EQ319057
Massbank Spectrum MSBNK-Eawag-EQ319058
Massbank Spectrum MSBNK-Eawag-EQ319059

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaBurkholderia ArborisNANAZhu et al. 2022
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaBurkholderia Arborisnutrient agar (NA) mediumUPLC-QTOF/MSno