CAS 3772-13-2 2,2-Dimethylthiirane (HCID 138050)

Substructure search Find similar structures

Basic information

CAS: 3772-13-2
Standard SMILES: CC1(C)CS1
InChIKey: HGJOFJDIHKHKAU-UHFFFAOYSA-N
Molecular formula: C4H8S
Average molar mass: 88.17 g/mol
Monoisotopic mass: 88.03467126

Names & identifiers

Preferred name: 2,2-Dimethylthiirane
IUPAC: 2,2-dimethylthiirane
English name: Isobutylene sulfide
Molecular formula: C4H8S
Molecular weight: 88.17

Names & synonyms

2,2-Dimethylthiirane3772-13-2Thiirane, 2,2-dimethyl-DTXSID70191151RefChem:81106DTXCID80113642678-553-8HGJOFJDIHKHKAU-UHFFFAOYSA-NIsobutylene SulfideMFCD00191662Anglamol 23; Isobutenylene sulfide; Isobutylene sulfide2,2-Dimethylethylene Sulfide

Show more names

IsobutyleneSulfide>Thiirane, 2,2-dimethyl-2,2-DimethylthiacyclopropaneISOBUTYLENE SULFIDE ISO 9001：2015 REACH2,2-Dimethylethylene Sulfide 2,2-Dimethylthiirane 2-Methylpropylene Sulfide

2,2-dimethyl-thiirane2-Methylpropylene SulfideSCHEMBL284316SCHEMBL27233216AKOS015842118DB-080688I0461D91159

Database identifiers

CAS: 3772-13-2
PubChem CID: 138050
DTXSID: DTXSID70191151
EC Number: 678-553-8
Nikkaji: J599A

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 25.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 1
Rotatable bonds: 0
Heavy atoms: 5
Formal charge: 0
Complexity: 47.6

Experimental & physicochemical properties

SpringerMaterials PropertiesSchoenflies notation

Physicochemical properties

Boiling point: 86 °C · 86°C
Density: 0 · 0,9 g/cm3
refractive index: 1.462 to · 1.4620 to 1.4650
storage temp.: Refrigerator
form: clear liquid
color: Colorless to Almost colorless
Symbol(GHS): 2 · GHS02
Signal word: Danger
Hazard statements: 225 · H225
Precautionary statements: 210 · P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501
Risk Statements: 11 · 11-23/24/25
Safety Statements: 16 · 16-26-33-36/37/39
RIDADR

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

ridadr: 1993
hs_code: 2934.99.9001
risk_code: 11-23/24/25
Signal word: Danger
Symbol(GHS): GHS02
safety_code: 16-26-33-36/37/39
hazard_class: 3
packing_group: II
Hazard statements: H225
Precautionary statements: P210-P233-P240-P241-P242-P243-P280-P303+P361+P353-P370+P378-P403+P235-P501