1,2,4,5,7-Pentathiocane

HCID 522753

Notes Reactions

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Basic information

CAS: 81531-39-7
Standard SMILES: C1SCSSCSS1
InChIKey: QFHGOPGLIADNQA-UHFFFAOYSA-N
Molecular formula: C3H6S5
Average molar mass: 202.4 g/mol
Monoisotopic mass: 201.90730606

Overview

1,2,4,5,7-Pentathiocane is an organic disulfide.

Names & identifiers

Preferred name: 1,2,4,5,7-Pentathiocane
IUPAC: 1,2,4,5,7-pentathiocane

Names & synonyms

1,2,4,5,7-Pentathiocane1,2,4,5,7-Pentathiaoctane1,2,4,5,7-PentathiacyclooctaneRefChem:71453QFHGOPGLIADNQA-UHFFFAOYSA-NCHEBI:185108DTXSID30131887781531-39-7

Database identifiers

CAS: 81531-39-7
PubChem CID: 522753
DTXSID: DTXSID301318877
ChEBI: CHEBI:185108
Nikkaji: J542.161F

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 127 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 5
Rotatable bonds: 0
Heavy atoms: 8
Formal charge: 0
Complexity: 49.6

Experimental & physicochemical properties

Melting Point102 - 104 °C

Physical DescriptionSolid

Chemistry & industry

Pharmacology

Cellular LocationsCytoplasm

Related reactions

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Compound notes

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