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139-65-1 | 4,4'-Thiodianiline
CAS No: 139-65-1 Catalog No: AG003KGW MDL No:MFCD00025342
Product Description
Catalog Number:
AG003KGW
Chemical Name:
4,4'-Thiodianiline
CAS Number:
139-65-1
Molecular Formula:
C12H12N2S
Molecular Weight:
216.3021
MDL Number:
MFCD00025342
IUPAC Name:
4-(4-aminophenyl)sulfanylaniline
InChI:
InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChI Key:
ICNFHJVPAJKPHW-UHFFFAOYSA-N
SMILES:
Nc1ccc(cc1)Sc1ccc(cc1)N
EC Number:
205-370-9
UNII:
6GGU990BQF
NSC Number:
6191
Properties
Complexity:
162
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
216.072g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
216.302g/mol
Monoisotopic Mass:
216.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
77.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
Literature
| Title | Journal |
|---|---|
| Synthesis and characterization of a novel carboxyl group containing (co)polyimide with sulfur in the polymer backbone. | Beilstein journal of organic chemistry 20120101 |
| 4,4'-Thiodianiline. | Report on carcinogens : carcinogen profiles 20110101 |
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| In vivo evaluation of diaminodiphenyls: anticonvulsant agents with minimal acute neurotoxicity. | Bioorganic & medicinal chemistry letters 20090901 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
| DNA fragmentation and DNA repair synthesis induced in rat and human thyroid cells by four rat thyroid carcinogens. | Toxicology and applied pharmacology 20050301 |
| 4,4'-Thiodianiline. | Report on carcinogens : carcinogen profiles 20040101 |
| Carcinogenic effect of combined administration of 2,4-diaminoanisole sulfate, 4,4'-thiodianiline and N,N'-diethylthiourea in male Wistar rats. | Neoplasma 20020101 |
| Degradability of selected azo dye metabolites in activated sludge systems. | Chemosphere 20010801 |
| Synergistic enhancement of thyroid tumor induction by 2,4-diaminoanisole sulfate, N,N'-diethylthiourea and 4,4'-thiodianiline in male F344 rats. | Carcinogenesis 19910801 |
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