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1135-14-4 | Benzenamine, 4-(phenylthio)-
CAS No: 1135-14-4 Catalog No: AG0008SI MDL No:MFCD00094027
Product Description
Catalog Number:
AG0008SI
Chemical Name:
Benzenamine, 4-(phenylthio)-
CAS Number:
1135-14-4
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
MDL Number:
MFCD00094027
IUPAC Name:
4-phenylsulfanylaniline
InChI:
InChI=1S/C12H11NS/c13-10-6-8-12(9-7-10)14-11-4-2-1-3-5-11/h1-9H,13H2
InChI Key:
TZQVSGOOKNNDFU-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Sc1ccccc1
EC Number:
601-260-3
NSC Number:
51015
Properties
Complexity:
158
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
201.061g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
201.287g/mol
Monoisotopic Mass:
201.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
51.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
Literature
| Title | Journal |
|---|---|
| Targeting apoptosis via chemical design: inhibition of bid-induced cell death by small organic molecules. | Chemistry & biology 20040801 |
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