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104340-33-2

104340-33-2 | Benzenamine, 2-[(1H-benzimidazol-2-ylthio)methyl]-

CAS No: 104340-33-2 Catalog No: AG007HYW MDL No:

Product Description

Catalog Number:
AG007HYW
Chemical Name:
Benzenamine, 2-[(1H-benzimidazol-2-ylthio)methyl]-
CAS Number:
104340-33-2
Molecular Formula:
C14H13N3S
Molecular Weight:
255.3381
IUPAC Name:
2-(1H-benzimidazol-2-ylsulfanylmethyl)aniline
InChI:
InChI=1S/C14H13N3S/c15-11-6-2-1-5-10(11)9-18-14-16-12-7-3-4-8-13(12)17-14/h1-8H,9,15H2,(H,16,17)
InChI Key:
VIDRTFCKVZQFTK-UHFFFAOYSA-N
SMILES:
Nc1ccccc1CSc1nc2c([nH]1)cccc2

Properties

Complexity:
274  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.083g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
255.339g/mol
Monoisotopic Mass:
255.083g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  

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