Cas no 2552-33-2 (Benzenamine, N,N-dimethyl-3-(methylthio)-)
2552-33-2 structure
Product Name:Benzenamine, N,N-dimethyl-3-(methylthio)-
CAS No:2552-33-2
MF:C9H13NS
MW:167.27122092247
CID:1423089
PubChem ID:20403482
Update Time:2025-04-20
Benzenamine, N,N-dimethyl-3-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- Benzenamine, N,N-dimethyl-3-(methylthio)-
- N,N-dimethyl-3-methylsulfanylaniline
- SCHEMBL4922030
- DTXSID90606833
- OTIDSYZPXOTMOC-UHFFFAOYSA-N
- 3-Aminothiophenol, N,N,S-trimethyl-
- N,N-Dimethyl-3-(methylthio)aniline
- 2552-33-2
- N,N-Dimethyl-3-(methylsulfanyl)aniline
- m-(methylthio)-N,N-dimethyl-aniline
-
- Inchi： 1S/C9H13NS/c1-10(2)8-5-4-6-9(7-8)11-3/h4-7H,1-3H3
- InChI Key： OTIDSYZPXOTMOC-UHFFFAOYSA-N
- SMILES： S(C)C1=CC=CC(=C1)N(C)C
Computed Properties
- Exact Mass: 167.07699
- Monoisotopic Mass: 167.07687059g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 114
- 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: 2.3
- Topological Polar Surface Area: 28.5?2
Experimental Properties
- PSA: 3.24
Benzenamine, N,N-dimethyl-3-(methylthio)- Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Ross Harder,David C. Dunand,Ian McNulty Nanoscale, 2017,9, 5686-5693
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