Results for:
PubChem ID: 31347

Thiolane 1,1-dioxide

Compound Details

Synonymous names
SULFOLANE
126-33-0
Tetramethylene sulfone
Tetrahydrothiophene 1,1-dioxide
Sulfolan
1,1-Dioxothiolan
Sulpholane
Thiophene, tetrahydro-, 1,1-dioxide
Sulphoxaline
Sulfalone
thiolane 1,1-dioxide
Dioxothiolan
Thiophan sulfone
Bondelane A
Bondolane A
Thiophane dioxide
Thiacyclopentane dioxide
Cyclotetramethylene sulfone
Tetrahydrothiophene dioxide
Thiolane-1,1-dioxide
Dihydrobutadiene sulfone
Cyclic tetramethylene sulfone
1,1-Dioxidetetrahydrothiophene
Dihydrobutadiene sulphone
1,1-Dioxidetetrahydrothiofuran
Tetrahydrothiophene 1-dioxide
Thiocyclopentane-1,1-dioxide
2,3,4,5-Tetrahydrothiophene-1,1-dioxide
NSC 46443
Tetrahydrothiofen-1,1-dioxid
DTXSID3027037
MFCD00005484
Y5L06AH4G5
CHEBI:74794
NSC-46443
1-Thiolane-1,1-dione
28452-93-9
Bondelane A; Bondolane A; Cyclic tetramethylene sulfone; Cyclotetramethylene sulfone; NSC 46443
CCRIS 2310
HSDB 122
tetrahydro-thiophene-1,1-dioxide
EINECS 204-783-1
Tetrahydrothiofen-1,1-dioxid [Czech]
1??-thiolane-1,1-dione
BRN 0107765
sulpholan
UNII-Y5L06AH4G5
AI3-09541
tetramethylenesulfone
tetramethylene sufone
tetramethylenesulphone
Sulfolane, 99%
tetramethylene-sulfone
tetramethylene sulphone
tetramethylene-sulphone
TETRAHYDROTHIOPHENE-1,1-DIOXIDE
CYCLOBUTYLSULFONE
Thiophane 1,1-dioxide
SULFOLANE [MI]
SULFOLANE [HSDB]
WLN: T5SWTJ
EC 204-783-1
SULFOLANE [USP-RS]
SCHEMBL14301
5-17-01-00039 (Beilstein Handbook Reference)
Sulfolane, analytical standard
1lambda6-thiolane-1,1-dione
Tetrahydothiophene-1,1-dioxide
tetrahydrothiophen-1,1-dioxide
tetrahydrothiophene-S,S-dioxide
DTXCID407037
1,1-Dioxide tetrahydrothiofuran
CHEMBL3186899
(CH2)4SO2
Sulfolane, redistilled from glass
tetra-hydrothiophene-1,1-dioxide
Tetrahydrothiophene, 1,1-dioxide
AMY33385
NSC46443
Thiophene, 1,1-dioxide-tetrahydro-
Tox21_200628
STL268898
AKOS002676003
AKOS015955444
Residual Solvent Class 2 - Sulfolane
Sulfolane, purum, >=98.0% (GC)
2,4,5-Tetrahydrothiophene-1,1-dioxide
NCGC00248771-01
NCGC00258182-01
CAS-126-33-0
PS-11978
DB-038059
CS-0020029
NS00001349
T0115
EN300-18394
D78046
Q416239
W-108395
F1294-0027
InChI=1/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H
QXB
Microorganism:

No

IUPAC namethiolane 1,1-dioxide
SMILESC1CCS(=O)(=O)C1
InchiInChI=1S/C4H8O2S/c5-7(6)3-1-2-4-7/h1-4H2
FormulaC4H8O2S
PubChem ID31347
Molweight120.17
LogP-0.8
Atoms7
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds sulfonyls
CHEBI-ID74794
Supernatural-IDSN0138111

mVOC Specific Details

Boiling Point
DegreeReference
285 °C peer reviewed
Volatilization
The Henry's Law constant for sulfolane is estimated as 4.8X10-6 atm-cu m/mole(SRC) using a fragment constant estimation method(1). This Henry's Law constant indicates that sulfolane is expected to volatilize from water surfaces(2). 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)(2) is estimated as 6 days(SRC). The volatilization half-life from a model lake (1 m deep, flowing 0.05 m/sec, wind velocity of 0.5 m/sec)(2) is estimated as 64 days(SRC). Sulfolane's Henry's Law constant indicates that volatilization from moist soil surfaces may occur(SRC). Sulfolane is not expected to volatilize from dry soil surfaces(SRC) based upon a vapor pressure 0.0062 mm Hg(3).
Soil Adsorption
Sulfolane exhibited very high mobility in batch adsorption experiments using aquifer material from 3 natural gas plants in Canada(1). In each experiment, the soil adsorption isotherms were linear and the soil adsorption coefficient (Kd) of sulfolane was very low (Kd < 1). The corresponding Koc values in these low organic (0.2-0.9% organic carbon) materials were in the range of 4-35. The Koc value of sulfolane using a humus rich soil (pH = 6.9, 3.6% organic carbon) was 3(1). According to a classification scheme(2), this range of Koc values suggests that sulfolane is expected to have very high mobility in soil(SRC).
Vapor Pressure
PressureReference
0.0062
Massbank-Links

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
Aspergillus FlavusKate et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
Aspergillus Flavusinoculated potato samplesGC-MSno