2-(Benzylthio)benzo[d]thiazole
Basic information
- CAS
19654-17-2- Standard SMILES
c1ccc(CSc2nc3ccccc3s2)cc1- InChIKey
JFRIJTKSNFXTIR-UHFFFAOYSA-N- Molecular formula
- C14H11NS2
- Average molar mass
- 257.4 g/mol
- Monoisotopic mass
- 257.0332917
Names & identifiers
- Preferred name
- 2-(Benzylthio)benzo[d]thiazole
- IUPAC
- 2-benzylsulfanyl-1,3-benzothiazole
- English name
- Benzothiazole, 2-[(phenylmethyl)thio]-
- Molecular formula
- C14H11NS2
- Molecular weight
- 257.37
Names & synonyms
2-(benzylthio)benzo[d]thiazole19654-17-22-Benzylsulfanyl-benzothiazole2-(benzylsulfanyl)-1,3-benzothiazole2-benzylsulfanyl-1,3-benzothiazole2-(Benzylthio)benzothiazole2-BenzylsulfanylbenzothiazoleBenzothiazole, 2-[(phenylmethyl)thio]-2-benzylthiobenzothiazolebenzylsulfanyl-benzothiazole2-benzylmercaptobenzothiazoleCHEMBL324341
Show more names
SCHEMBL30775682-(phenylmethylthio)benzothiazoleDTXSID70333276JFRIJTKSNFXTIR-UHFFFAOYSA-NMFCD00099033STK950793AKOS000715209NCGC00327389-01
Database identifiers
- CAS
19654-17-2- PubChem CID
- 497465
- DTXSID
DTXSID70333276- ChEMBL
CHEMBL324341- Nikkaji
- J1.099.837I
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 240
Related reactions
5 records
Compound notes
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