Cas no 62194-31-4 (2-Benzothiazolamine, N,4,5-trimethyl-)
62194-31-4 structure
Product Name:2-Benzothiazolamine, N,4,5-trimethyl-
CAS No:62194-31-4
MF:C10H12N2S
MW:192.280680656433
CID:454806
PubChem ID:45077461
Update Time:2025-04-19
2-Benzothiazolamine, N,4,5-trimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolamine, N,4,5-trimethyl-
- 2-Benzothiazolamine,N,4,5-trimethyl-(9CI)
- N,4,5-trimethyl-1,3-benzothiazol-2-amine
- 62194-31-4
- DTXSID50663306
-
- Inchi： 1S/C10H12N2S/c1-6-4-5-8-9(7(6)2)12-10(11-3)13-8/h4-5H,1-3H3,(H,11,12)
- InChI Key： RUTQSHLCNZECQA-UHFFFAOYSA-N
- SMILES： S1C(NC)=NC2=C1C=CC(C)=C2C
Computed Properties
- Exact Mass: 192.07226
- Monoisotopic Mass: 192.072
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 186
- 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
- Topological Polar Surface Area: 53.2A^2
- XLogP3: 3.4
Experimental Properties
- PSA: 24.92
2-Benzothiazolamine, N,4,5-trimethyl- Related Literature
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J. Zagora,M. Vosla?,L. Schreiberová,I. Schreiber Phys. Chem. Chem. Phys., 2002,4, 1284-1291
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2. Estimation of hydrogen sulfide from crude petroleum: a unique invention using a simple chemosensor?Shampa Kundu,Prithidipa Sahoo New J. Chem., 2019,43, 12369-12374
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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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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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