Home Nitriles 2-{[(2-aminoethyl)sulfanyl]methyl}benzonitrile hydrochloride

2-{[(2-aminoethyl)sulfanyl]methyl}benzonitrile hydrochloride

CAS No.:
1052540-31-4
Catalog Number:
AG019O8I
Molecular Formula:
C10H13ClN2S
Molecular Weight:
228.7416
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Product Description
Catalog Number:
AG019O8I
Chemical Name:
2-{[(2-aminoethyl)sulfanyl]methyl}benzonitrile hydrochloride
CAS Number:
1052540-31-4
Molecular Formula:
C10H13ClN2S
Molecular Weight:
228.7416
MDL Number:
MFCD06682721
IUPAC Name:
2-(2-aminoethylsulfanylmethyl)benzonitrile;hydrochloride
InChI:
InChI=1S/C10H12N2S.ClH/c11-5-6-13-8-10-4-2-1-3-9(10)7-12;/h1-4H,5-6,8,11H2;1H
InChI Key:
KQBNUSRUEJLIGJ-UHFFFAOYSA-N
SMILES:
NCCSCc1ccccc1C#N.Cl
Properties
Complexity:
185  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.049g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
228.738g/mol
Monoisotopic Mass:
228.049g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
75.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Properties