Perhydrobenzimidazole-2-thione

HCID 720914
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Basic information

Standard SMILES
S=C1N[C@H]2CCCC[C@H]2N1
InChIKey
INYFNNKRGLROQV-OLQVQODUSA-N
Molecular formula
C7H12N2S
Average molar mass
156.25 g/mol
Monoisotopic mass
156.07211956

Names & identifiers

Preferred name
Perhydrobenzimidazole-2-thione
IUPAC
(3aS,7aR)-1,3,3a,4,5,6,7,7a-octahydrobenzimidazole-2-thione

Names & synonyms

Perhydrobenzimidazole-2-thioneSCHEMBL7487429SCHEMBL24549577INYFNNKRGLROQV-OLQVQODUSA-NCis-3a,4,5,6,7,7a-Hexahydro-1H-benzimidazol-2-thione

Database identifiers

PubChem CID
720914

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
56.2 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
1
Rotatable bonds
0
Heavy atoms
10

Related reactions

2 records
New reaction record

Linked notes

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