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1134-94-7,MFCD00190139
Catalog No.:AA0008CZ
1134-94-7 | 2-(Phenylthio)aniline
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Technical Information
Catalog Number:
AA0008CZ
Chemical Name:
2-(Phenylthio)aniline
CAS Number:
1134-94-7
Molecular Formula:
C12H11NS
Molecular Weight:
201.2874
MDL Number:
MFCD00190139
IUPAC Name:
2-phenylsulfanylaniline
InChI:
InChI=1S/C12H11NS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2
InChI Key:
DGBISJKLNVVJGD-UHFFFAOYSA-N
SMILES:
Nc1ccccc1Sc1ccccc1
Properties
Computed Properties
 
Complexity:
166  
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:
3.3  

Synonyms
 
2-(phenylthio)aniline 
2-(Phenylthio)aniline 
Benzenamine, 2-(phenylthio)- 
2-Aminodiphenyl Sulfide 
2-phenylthiophenylamine 
NSC633006 
2-(phenylsulfanyl)anilin 
6764-13-2 
o-(phenylthio)aniline 
PubChem10685 
2-Amino diphenylsulfide 
2-aminodiphenyl thioether 
1134-94-7 
2NH2Ph-S-Ph 
AC1L7QPV 
AC1Q7DYM 
2-phenylsulfanylphenylamine 
ACMC-2099jt 
2-(phenylsulfanyl) aniline 
2-phenylsulfanyl-phenylamine 
SCHEMBL11546 
KSC428O4F 
2-(phenylthio)aniline 99+% 
2-Aminophenyl phenyl sulfide 
Jsp001041 
DTXSID60327124 
DGBISJKLNVVJGD-UHFFFAOYSA-N 
ZINC247941 
KS-00000V6F 
ANW-16647 
BBL034742 
MFCD00190139 
SBB058622 
STL420634 
2-Amino diphenyl sulfide 
AKOS000120471 
MCULE-6750879213 
RP25875 
TRA0021146 
AC-11309 
AJ-18345 
AN-48689 
CJ-02595 
SC-46609 
ZB009808 
2-Aminodiphenyl sulphide 
2-(Phenylthio)aniline, >=98.0% (GC) 
AB0011161 
RT-001161 
TL8000397 
A1856 
AM20020223 
FT-0610998 
FT-0691285 
ST24039713 
ST51033903 
2-(phenylsulfanyl)aniline 
Quetiapine Impurity (2-Aminodiphenyl Sulfide) 
A25078 
2-aminodiphenyl sulfide / 2-(phenylthio)aniline 
I01-2642 
J-508041 
Z1250100754 
InChI=1/C12H11NS/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H 
O-(Phenylthio)aniline;2-Aminophenyl phenyl sulfide;2-Aminodiphenyl sulfide;2-Aminodiphenyl sulphide 
2- aniline 
C12H11NS 
2-phenylsulfanylaniline 
2-(Phenylthio)aniline hydrochloride 
AR-1C9692 
CID365393 
NSC129608 
2-(Phenylthioaniline), 98% 100g 
EC 413-030-8 
S-7970 
67923-61-9 
2-Phenylthioaniline 
2-Aminodiphenylsulfide 
Literature

Title: Identification and characterization of potential impurities of quetiapine fumarate.

Journal: Pharmaceutical development and technology 20090101

Title: Trypanothione reductase: a viable chemotherapeutic target for antitrypanosomal and antileishmanial drug design.

Journal: Drug target insights 20070101

Title: Diarylsulfones, a new chemical class of nonnucleoside antiviral inhibitors of human immunodeficiency virus type 1 reverse transcriptase.

Journal: Antimicrobial agents and chemotherapy 19930401

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