3H-1,2-Dithiole, 3,3,4,5-tetrachloro-

HCID 55894

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Basic information

CAS: 88917-02-6
Standard SMILES: ClC1=C(Cl)C(Cl)(Cl)SS1
InChIKey: YXMZIQBPZNCGMY-UHFFFAOYSA-N
Molecular formula: C3Cl4S2
Average molar mass: 242 g/mol
Monoisotopic mass: 239.819553

Names & identifiers

Preferred name: 3H-1,2-Dithiole, 3,3,4,5-tetrachloro-
IUPAC: 3,3,4,5-tetrachlorodithiole

Names & synonyms

3,3,4,5-Tetrachloro-3H-1,2-dithiole88917-02-63H-1,2-DITHIOLE, 3,3,4,5-TETRACHLORO-DTXSID30237423RefChem:1068916DTXCID30159914NSC135975HYP8H3EXX4TETRACHLORO-1,2-DITHIOLENSC-1359753,3,4,5-tetrachlorodithiole3,3,4,5-Tetrachloro-1,2-dithiole

Show more names

NSC 135975BRN 13431833H-1, tetrachloro-UNII-HYP8H3EXX4CHEMBL2001650NCI60_000811

Database identifiers

CAS: 88917-02-6
PubChem CID: 55894
DTXSID: DTXSID30237423
ChEMBL: CHEMBL2001650
UNII: HYP8H3EXX4
Nikkaji: J91.196H

Properties

Computed structural properties

XLogP: 3.3
Topological polar surface area: 50.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 163

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