6-Thiabicyclo[3.1.0]hexane
Basic information
- CAS
285-75-6- Standard SMILES
C1CC2SC2C1- InChIKey
GYDYAIFGNFSDAP-UHFFFAOYSA-N- Molecular formula
- C5H8S
- Average molar mass
- 100.18 g/mol
- Monoisotopic mass
- 100.03467143
Names & identifiers
- Preferred name
- 6-Thiabicyclo[3.1.0]hexane
- IUPAC
- 6-thiabicyclo[3.1.0]hexane
- English name
- 6-thiabicyclo[3.1.0]hexane
- Molecular formula
- C5H8S
- Molecular weight
- 100.18
Names & synonyms
6-Thiabicyclo[3.1.0]hexane285-75-6Cyclopentane-episulfideDTXSID202809636-Thiabicyclo(3.1.0)hexaneRefChem:105276DTXCID50232117GYDYAIFGNFSDAP-UHFFFAOYSA-NNSC-19432cyclopentene sulfideNSC19432cyclopentene sulphide
Show more names
Cyclopentene episulfideC3X9VNW6PUCyclopentane, 1,2-epithio-6-thiabicyclo[3.1.0]hexanSCHEMBL3838064SCHEMBL96444666-Thiabicyclo[3.1.0]hexane #DS-009159
Database identifiers
- CAS
285-75-6- PubChem CID
- 227591
- DTXSID
DTXSID20280963- UNII
- C3X9VNW6PU
- Nikkaji
- J746.990J
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 62.3
Experimental & physicochemical properties
SpringerMaterials PropertiesElectric dipole moment
Physicochemical properties
- Boiling point
- 69 · 69-70 °C(Press: 65 Torr)
- Density
- 1.152 · 1.152±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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