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1135-14-4,MFCD00094027
Catalog No.:AA0008PQ
1135-14-4 | 4-(Phenylthio)aniline
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Technical Information
Catalog Number:
AA0008PQ
Chemical Name:
4-(Phenylthio)aniline
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
Computed 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  

Synonyms
 
4-(Phenylthio)aniline 
1135-14-4 
CCRIS 3893 
Aniline, p-(phenylthio)- (6CI,7CI,8CI) 
4-Phenylsulfanyl-phenylamine 
BRN 1869503 
4-phenylthiophenylamine 
4-aminodiphenylsulfide 
4-phenylthioaniline 
phenylsulfanylaniline 
aminodiphenyl sulfide 
AC1L3VOX 
4-(phenylsulfanyl)aniline 
p-(Phenylmercapto)aniline 
Benzenamine,4-(phenylthio)- 
4-13-00-01291 (Beilstein Handbook Reference) 
SCHEMBL202221 
AC1Q525W 
CHEMBL170030 
(4-phenylsulfanyl-phenyl)-amine 
CTK4A8333 
DTXSID10150424 
TZQVSGOOKNNDFU-UHFFFAOYSA-N 
Benzenamine, 4-(phenylthio)- 
ZINC400101 
KS-00002AY1 
NSC51015 
9051AC 
MFCD00094027 
NSC-51015 
SBB022458 
STK346925 
AKOS000215525 
MCULE-5588382399 
4-phenylsulfanylaniline 
RP11773 
SS-2399 
LS-28420 
ZB012823 
TR-002612 
FT-0681253 
ST45055061 
K-1002 
J-002974 
J-513815 
4-Aminodiphenyl sulfide 
I14-27326 
C12H11NS 
C12-H11-N-S 
CID96081 
4-Aminodiphenyl thioether 
p-(Phenylthio)aniline 
4-(Phenylthio)phenylamine 
p-Aminophenyl phenyl sulfide 
Literature

Title: Targeting apoptosis via chemical design: inhibition of bid-induced cell death by small organic molecules.

Journal: Chemistry & biology 20040801

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