2-(1H-Benzimidazol-2-ylthio)-N,N-diethylethanamine

HCID 28909

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Basic information

CAS: 25369-81-7
Standard SMILES: CCN(CC)CCSc1nc2ccccc2[nH]1
InChIKey: WVJJDNQWZCDSAS-UHFFFAOYSA-N
Molecular formula: C13H19N3S
Average molar mass: 249.38 g/mol
Monoisotopic mass: 249.12996879

Names & identifiers

Preferred name: 2-(1H-Benzimidazol-2-ylthio)-N,N-diethylethanamine
IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-N,N-diethylethanamine
English name: 2-[[2-(Diethylamino)ethyl]thio]-1H-benzimidazole
Molecular formula: C13H19N3S
Molecular weight: 249.38

Names & synonyms

25369-81-7BENZIMIDAZOLE, 2-((2-(DIETHYLAMINO)ETHYL)THIO)-CAM2K6Z379Ethanamine, 2-(1H-benzimidazol-2-ylthio)-N,N-diethyl-NSC-449602-(1H-Benzimidazol-2-ylthio)-N,N-diethylethanamineDTXSID40180012Benzimidazole, 2-[[2-(diethylamino)ethyl]thio]-RefChem:1060691DTXCID501025032-(1H-benzimidazol-2-ylsulfanyl)-N,N-diethylethanamine2-(2'-Diethylaminoethyl-thio)benzimidazole

Show more names

Aclonifen Impurity 6[2-(1H-benzoimidazol-2-ylsulfanyl)-ethyl]-diethyl-amine

2-[[2-(Diethylamino)ethyl]thio]-1H-benzimidazoleNSC 44960BRN 0177537NSC44960Ethanamine,N-diethyl-ChemDiv2_003717Cambridge id 5686130UNII-CAM2K6Z379

Database identifiers

CAS: 25369-81-7
PubChem CID: 28909
DTXSID: DTXSID40180012
UNII: CAM2K6Z379
Nikkaji: J41.312G

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 57.2 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 17
Formal charge: 0
Complexity: 221

Physicochemical properties

FDA UNII: 2 K6Z379 · CAM2K6Z379

Chemistry & industry

Upstream & downstream products

Upstream raw materials

2-Mercaptobenzimidazole

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Compound notes

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