Cas no 53334-25-1 (Benzenamine, 5-methyl-2-[(methylthio)methyl]-)
![Benzenamine, 5-methyl-2-[(methylthio)methyl]- structure](https://ossimg.kuujia.com/scimg/53500/53334-25-1x500.png)
53334-25-1 structure
Product Name:Benzenamine, 5-methyl-2-[(methylthio)methyl]-
CAS No:53334-25-1
MF:C9H13NS
MW:167.27122092247
CID:357546
PubChem ID:15727794
Update Time:2025-04-19
Benzenamine, 5-methyl-2-[(methylthio)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, 5-methyl-2-[(methylthio)methyl]-
- 5-methyl-2-(methylsulfanylmethyl)aniline
- DTXSID00577525
- 5-Methyl-2-[(methylsulfanyl)methyl]aniline
- 53334-25-1
-
- Inchi： 1S/C9H13NS/c1-7-3-4-8(6-11-2)9(10)5-7/h3-5H,6,10H2,1-2H3
- InChI Key： NVXFZHOQIMYIPP-UHFFFAOYSA-N
- SMILES： S(C)CC1C=CC(C)=CC=1N
Computed Properties
- Exact Mass: 167.07699
- Monoisotopic Mass: 167.07687059g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 116
- 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: 1.9
- Topological Polar Surface Area: 51.3?2
Experimental Properties
- PSA: 26.02
Benzenamine, 5-methyl-2-[(methylthio)methyl]- Related Literature
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
-
Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
-
Supaporn Sawadjoon,Joseph S. M. Samec Org. Biomol. Chem., 2011,9, 2548-2554
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
-
Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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