Cas no 54029-74-2 (1,2-Benzenediamine, 4-[(4-methylphenyl)thio]-)
![1,2-Benzenediamine, 4-[(4-methylphenyl)thio]- structure](https://ossimg.kuujia.com/scimg/54500/54029-74-2x500.png)
54029-74-2 structure
Product Name:1,2-Benzenediamine, 4-[(4-methylphenyl)thio]-
CAS No:54029-74-2
MF:C13H14N2S
MW:230.328661441803
CID:355742
PubChem ID:20362821
Update Time:2025-04-19
1,2-Benzenediamine, 4-[(4-methylphenyl)thio]- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediamine, 4-[(4-methylphenyl)thio]-
- 4-(4-methylphenyl)sulfanylbenzene-1,2-diamine
- 1,2-diamino-4-(p-methylphenylthio)benzene
- 54029-74-2
- 1,2-diamino-4-(p-methylphenylthio) benzene
- 1,2-diamino-4-(p-methylthiophenoxy)-benzene
- XZTAIJANGXIZIF-UHFFFAOYSA-N
- 1,2-diamino-4-(p-methylphenylthio)-benzene
- DTXSID40606085
- SCHEMBL11630774
- 4-[(4-Methylphenyl)sulfanyl]benzene-1,2-diamine
-
- Inchi： 1S/C13H14N2S/c1-9-2-4-10(5-3-9)16-11-6-7-12(14)13(15)8-11/h2-8H,14-15H2,1H3
- InChI Key： XZTAIJANGXIZIF-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)C1=CC=C(C(=C1)N)N
Computed Properties
- Exact Mass: 230.08792
- Monoisotopic Mass: 230.08776963g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 77.3?2
Experimental Properties
- PSA: 52.04
1,2-Benzenediamine, 4-[(4-methylphenyl)thio]- Related Literature
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Goonay Yousefalizadeh,Shideh Ahmadi,Nicholas J. Mosey,Kevin G. Stamplecoskie Nanoscale, 2021,13, 242-252
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Matthew J. Gaunt,Jinquan Yu,Jonathan B. Spencer Chem. Commun., 2001, 1844-1845
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Chen Long,Ying Dai,Jianwei Li,Hao Jin Nanoscale, 2020,12, 21124-21130
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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