Basic information
- CAS
17233-71-5- Standard SMILES
C1SSSSSS1- InChIKey
JMYWPEQXUQGQNF-UHFFFAOYSA-N- Molecular formula
- CH2S6
- Average molar mass
- 206.4 g/mol
- Monoisotopic mass
- 205.84807711
Overview
1,2,3,4,5,6-Hexathiepane is an organic heterocyclic compound.
Names & identifiers
- Preferred name
- Hexathiepane
- IUPAC
- hexathiepane
- English name
- Hexathiepane
- Molecular formula
- CH2S6
- Molecular weight
- 206.42
Names & synonyms
Hexathiepane17233-71-5DTXSID70938129RefChem:1086655DTXCID6013666751,2,3,4,5,6-hexathiepaneSCHEMBL28487036CHEBI:184394JMYWPEQXUQGQNF-UHFFFAOYSA-N1,2,3,4,5,6-Hexathiacycloheptane
Database identifiers
- CAS
17233-71-5- PubChem CID
- 87012
- DTXSID
DTXSID70938129- ChEBI
CHEBI:184394- Nikkaji
- J101.733K
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 37.4
Experimental & physicochemical properties
Melting Point90 °C
Physical DescriptionSolid
Physicochemical properties
- Boiling point
- 363.9 · 363.9±25.0 °C(Predicted)
- Density
- 1.705 · 1.705±0.06 g/cm3(Predicted)
- LogP
- 5.148 · 5.148 (est)
Chemistry & industry
Pharmacology
Cellular LocationsCytoplasm
Additional notes
DefinitionChEBI: 1,2,3,4,5,6-Hexathiepane is an organic heterocyclic compound.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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