1,2,5-Trithiepane

HCID 522181

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Basic information

CAS: 6576-93-8
Standard SMILES: C1CSSCCS1
InChIKey: JOAOASQIWYLMQC-UHFFFAOYSA-N
Molecular formula: C4H8S3
Average molar mass: 152.3 g/mol
Monoisotopic mass: 151.97881378

Names & identifiers

Preferred name: 1,2,5-Trithiepane
IUPAC: 1,2,5-trithiepane

Names & synonyms

1,2,5-Trithiepane6576-93-8DTXSID90215964RefChem:71578DTXCID20138455JOAOASQIWYLMQC-UHFFFAOYSA-N1,2,5-TrithiapaneSCHEMBL4456502SCHEMBL14312077EN300-1450540

Database identifiers

CAS: 6576-93-8
PubChem CID: 522181
DTXSID: DTXSID90215964
Nikkaji: J707.656H

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 75.9 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 0
Heavy atoms: 7
Formal charge: 0
Complexity: 40.2

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