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87740-22-5 | Benzenamine, 4-[[(3-methylphenyl)thio]methyl]-, hydrochloride
CAS No: 87740-22-5 Catalog No: AG004IOP MDL No:
Product Description
Catalog Number:
AG004IOP
Chemical Name:
Benzenamine, 4-[[(3-methylphenyl)thio]methyl]-, hydrochloride
CAS Number:
87740-22-5
Molecular Formula:
C14H16ClNS
Molecular Weight:
265.8015
IUPAC Name:
4-[(3-methylphenyl)sulfanylmethyl]aniline;hydrochloride
InChI:
InChI=1S/C14H15NS.ClH/c1-11-3-2-4-14(9-11)16-10-12-5-7-13(15)8-6-12;/h2-9H,10,15H2,1H3;1H
InChI Key:
WIBXSFSUKMHOCC-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)CSc1cccc(c1)C.Cl
Properties
Complexity:
199
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
265.069g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
265.799g/mol
Monoisotopic Mass:
265.069g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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