Carbamodithioic acid, diethyl-, (1-(2-naphthalenylmethyl)-1H-benzimidazol-2-yl)methyl ester

HCID 55873

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Basic information

CAS: 88797-51-7
Standard SMILES: CCN(CC)C(=S)SCc1nc2ccccc2n1Cc1ccc2ccccc2c1
InChIKey: TXPUGUBKRVUDRI-UHFFFAOYSA-N
Molecular formula: C24H25N3S2
Average molar mass: 419.6 g/mol
Monoisotopic mass: 419.14899016

Names & identifiers

Preferred name: Carbamodithioic acid, diethyl-, (1-(2-naphthalenylmethyl)-1H-benzimidazol-2-yl)methyl ester
IUPAC: [1-(naphthalen-2-ylmethyl)benzimidazol-2-yl]methyl N,N-diethylcarbamodithioate

Names & synonyms

Carbamodithioic acid, diethyl-, (1-(2-naphthalenylmethyl)-1H-benzimidazol-2-yl)methyl ester88797-51-7DTXSID70237326Diethylcarbamodithioic acid (1-(2-naphthalenylmethyl)-1H-benzimidazol-2-yl)methyl esterRefChem:332828DTXCID70159817{1-[(Naphthalen-2-yl)methyl]-1H-1,3-benzimidazol-2-yl}methyl diethylcarbamodithioate

Database identifiers

CAS: 88797-51-7
PubChem CID: 55873
DTXSID: DTXSID70237326

Properties

Computed structural properties

XLogP: 5.9
Topological polar surface area: 78.5 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 7
Heavy atoms: 29
Formal charge: 0
Complexity: 538

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