1,2-Epithiocyclohexane
Basic information
- CAS
286-28-2- Standard SMILES
C1CCC2SC2C1- InChIKey
PQWJNIJNYRPOAA-UHFFFAOYSA-N- Molecular formula
- C6H10S
- Average molar mass
- 114.21 g/mol
- Monoisotopic mass
- 114.05032132
Names & identifiers
- Preferred name
- 1,2-Epithiocyclohexane
- IUPAC
- 7-thiabicyclo[4.1.0]heptane
- English name
- CYCLOHEXENE SULFIDE
- Molecular formula
- C6H10S
- Molecular weight
- 114.21
Names & synonyms
1,2-EpithiocyclohexaneCyclohexene episulfide1,2-Cyclohexylene sulfideCyclohexene, sulfideCyclohexane, 1,2-epithio-EINECS 206-008-2NSC 597167-Thiabicyclo(4.1.0)heptane (8CI)(9CI)RefChem:4118267-Thiabicyclo(4.1.0)heptane (8CI)206-008-2Cyclohexene sulfide
Show more names
2,3-ButanothiiraneCYCLOHEXENE SULPHIDECYCLOHEXENE SULFIDE, TECH., 85%Cyclohexene sulphide, tech. 80%
286-28-27-Thiabicyclo[4.1.0]heptane7-Thiabicyclo(4.1.0)heptaneMFCD00005163Cyclohexane,2-epithio-SCHEMBL862038SCHEMBL9644578DTXSID00951265
Database identifiers
- CAS
286-28-2- PubChem CID
- 9247
- DTXSID
DTXSID00951265- EC Number
- 206-008-2
- Nikkaji
- J125.144I
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 70.2
Physicochemical properties
- Boiling point
- 55 · 55-58 °C/12 mmHg (lit.)
- Density
- 0.941 · 0.941 (estimate)
- refractive index
- 20 · n20/D 1.527(lit.)
- Flash point
- 122 °F · 122 °F
- storage temp.
- 2 · 2-8°C
- form
- Opalescent Liquid
- color
- Yellow
- InChI
- InChI=1S/C6H10S/c1-2-4-6-5(3-1)7-6/h5-6H,1-4H2
- InChIKey
- PQWJNIJNYRPOAA-UHFFFAOYSA-N
- SMILES
- C12C(S1)CCCC2
- CAS DataBase Reference
- 286 · 286-28-2(CAS DataBase Reference)
- EPA Substance Registry System
- 1 · 1,2-Epithiocyclohexane (286-28-2)
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 2 · GHS02
- Signal word
- Warning
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 4 notifications to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- PPE
- Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
- wgk
- 3
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29309099
- risk_code
- 10
- Signal word
- Warning
- Symbol(GHS)
- GHS02
- safety_code
- 16-27-36/37/39
- hazard_class
- 3.2
- Storage Class
- 3 - Flammable liquids
- packing_group
- III
- Hazard statements
- H226
- Hazard Classifications
- Flam. Liq. 3
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Related reactions
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Compound notes
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