Results for:
chemical Classification: Thiocyanate

Methyl Thiocyanate

Mass-Spectra

Compound Details

Synonymous names
thiocyanatomethane
Methylsalfocyanate
methylsulfocyanate
Methylthiokyanat
methylthiocyanide
methylthiocyanate
Thiocyanomethane
methylrhodanate
Methylrhodanid
Methyl sulfocyanate
METHYL THIOCYANATE
METHYL THIOCYANIDE
VYHVQEYOFIYNJP-UHFFFAOYSA-N
thiocyanato-methan
Methyl Rhodanide
Methyl rhodanate
MeSCN
Thiocyanic acid methyl
Thiocyanic Acid Methyl Ester
CH3SCN
Thiocyanic acid, methylester
THIOCYANIC ACID,METHYL ESTER
AC1L1WRG
Methylthiokyanat [Czech]
Methylrhodanid [German]
Methane, thiocyanato-
Thiocyanic acid, methyl ester
Methyl thiocyanate, 97%
NSC9368
3842AH
ACMC-1B14K
WLN: NCS1
CTK5A3958
55I23VY6IE
LTBB001911
HSDB 5691
UNII-55I23VY6IE
DTXSID5060304
CS-M0697
OR034900
NSC-9368
NSC 9368
CHEBI:61112
SC-73361
AN-45906
ANW-32359
KB-55037
ZINC64634041
MFCD00001830
TC-121104
LS-152710
AI3-16178
AKOS009158012
FT-0695131
BRN 1098357
556-64-9
MCULE-3677411130
EINECS 209-134-6
MolPort-000-157-554
InChI=1/C2H3NS/c1-4-2-3/h1H
4-03-00-00327 (Beilstein Handbook Reference)
IUPAC namemethyl thiocyanate
SMILESCSC#N
InchiInChI=1S/C2H3NS/c1-4-2-3/h1H3
FormulaC2H3NS
PubChem ID11168
Molweight73.11
LogP0.89
Atoms7
Bonds6
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThiocyanate Thiocyanates nitrogen compounds sulfur compounds thioethers

mVOC Specific Details

Volatilization
The Henry's Law constant for methyl thiocyanate is estimated as 4.4X10-5 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This value indicates that methyl thiocyanate will volatilize from water surfaces(2,SRC). Based on this Henry's Law constant, the volatilization half-life from a model river (1 m deep, flowing 1 m/sec, wind velocity of 3 m/sec) is estimated as approximately 20 hours(2,SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec) is estimated as approximately 8.6 days(2,SRC). Methyl thiocyanate's Henry's Law constant(1,SRC) indicates that volatilization from moist soil surfaces is expected (SRC). The potential for volatilization of methyl thiocyanate from dry soil surfaces may exist(SRC) based on a measured vapor pressure of 12 mm Hg(4).
Literature: (1) Meylan WM, Howard PH; Environ Toxicol Chem 10: 1283-93 (1991) (2) Lyman WJ et al; Handbook of Chemical Property Estimation Methods. Washington DC: Amer Chem Soc pp. 15-1 to 15-29 (1990) (3) Lyman WJ; p 31 in Environmental Exposure From Chemicals Vol I, Neely WB, Blau GE(eds), Boca Raton, FL: CRC Press (1985) (4) Perry RH, Green D; Perry's Chemical Handbook, Physical and Chemical Data, NY, NY: McGraw Hill 6th ed (1984)
Solubility
VERY SLIGHTLY SOL IN WATER; MISCIBLE WITH ALC, ETHER
Literature: Budavari, S. (ed.). The Merck Index - An Encyclopedia of Chemicals, Drugs, and Biologicals. Whitehouse Station, NJ: Merck and Co., Inc., 1996., p. 1045
Literature: #Soluble in carbon tetrachloride.
Literature: Lide, D.R. (ed.). CRC Handbook of Chemistry and Physics. 76th ed. Boca Raton, FL: CRC Press Inc., 1995-1996., p. 3-320
Soil Adsorption
Using a structure estimation method based on molecular connectivity indices(1), the Koc for methyl thiocyanate can be estimated to be about 8.3(SRC). According to a recommended classification scheme(2), this estimated Koc value suggests that methyl thiocyanate is expected to have very high mobility in soil(SRC).
Literature: (1) Meylan WM et al; Environ Sci Technol 26: 1560-67 (1992) (2) Swann RL et al; Res Rev 85: 23 (1983)
Vapor Pressure
PressureReference
12.1 mm Hg at 25 deg CPerry RH, Green D; Perry's Chemical Handbook, Physical and Chemical Data, NY,NY: McGraw Hill 6th ed p. 3-58 (1984)

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaCollimonas Fungivorans Ter331n/aGarbeva et al., 2013
BacteriaCollimonas Pratensis TER91narhizosphere of Marram grass in sandy dune soils, NetherlandsGarbeva et al., 2014
BacteriaJanthinobacterium Sp. AD80nanaTyc et al., 2015
BacteriaPseudomonas Umsongensis 313P5BSLobaria pulmonaria lichen thalli, AustriaCernava et al. 2015
BacteriaSerratia Plymuthica PRI-2Cnamaize rhizosphere, NetherlandsGarbeva et al., 2014
BacteriaTsukamurella Sp. AD106nanaTyc et al., 2015
FungiRhizoctonia Solani AG2-2 IIIBcollection of the Sugar Beet Research Institute, Bergen op Zoom, The NetherlandsCordovez et al. 2017
BacteriaStreptomycesJones et al. eLife 2017;6:e21738.
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaCollimonas Fungivorans Ter331Headspace trapping/GC-MS
BacteriaCollimonas Pratensis TER91sand containing artificial root exudatesGC/MSNo
BacteriaJanthinobacterium Sp. AD80Tryptic soy broth agarGC/MS-Q-TOFNo
BacteriaPseudomonas Umsongensis 313P5BSR2AGC/MS SPME
BacteriaSerratia Plymuthica PRI-2Csand containing artificial root exudatesGC/MSNo
BacteriaTsukamurella Sp. AD106Tryptic soy broth agarGC/MS-Q-TOFNo
FungiRhizoctonia Solani AG2-2 IIIBPotato Dextrose Agar3Tenax TA / TDGC-MSno
BacteriaStreptomycesYPD agarGCxGC-TOFMSno