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13313-45-6 | Benzenamine, 3-(methylthio)-N-phenyl-
CAS No: 13313-45-6 Catalog No: AG0014BO MDL No:MFCD11865001
Product Description
Catalog Number:
AG0014BO
Chemical Name:
Benzenamine, 3-(methylthio)-N-phenyl-
CAS Number:
13313-45-6
Molecular Formula:
C13H13NS
Molecular Weight:
215.3140
MDL Number:
MFCD11865001
IUPAC Name:
3-methylsulfanyl-N-phenylaniline
InChI:
InChI=1S/C13H13NS/c1-15-13-9-5-8-12(10-13)14-11-6-3-2-4-7-11/h2-10,14H,1H3
InChI Key:
NGTRZJDYCCOXBA-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)Nc1ccccc1
EC Number:
236-342-4
Properties
Complexity:
177
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
215.077g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
215.314g/mol
Monoisotopic Mass:
215.077g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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