Bis(1h-benzimidazol-2-yl) carbonotrithioate

HCID 220902

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Basic information

CAS: 5396-96-3
Standard SMILES: S=C(Sc1nc2ccccc2[nH]1)Sc1nc2ccccc2[nH]1
InChIKey: INBINYFHGYLEGH-UHFFFAOYSA-N
Molecular formula: C15H10N4S3
Average molar mass: 342.5 g/mol
Monoisotopic mass: 342.00675986

Names & identifiers

Preferred name: Bis(1h-benzimidazol-2-yl) carbonotrithioate
IUPAC: bis(1H-benzimidazol-2-ylsulfanyl)methanethione

Names & synonyms

5396-96-3Bis(1H-benzo[d]imidazol-2-yl) carbonotrithioatebis(1h-benzimidazol-2-yl) carbonotrithioateNSC4410NIOSH/FG2491000DTXSID80277834NSC-4410Bis(2-benzimidazolyl) trithiocarbonateFG24910000Bis(1H-1,3-benzimidazol-2-yl) carbonotrithioateCarbonic acid, trithio-, bis(2-benzimidazolyl) ester

Database identifiers

CAS: 5396-96-3
PubChem CID: 220902
DTXSID: DTXSID80277834
Nikkaji: J2.761.547C

Properties

Computed structural properties

XLogP: 5.1
Topological polar surface area: 140 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 5
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 386

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