Cas no 58460-31-4 (6-Benzothiazolamine, 5-chloro-2-(1,1-dimethylethyl)-)
58460-31-4 structure
Product Name:6-Benzothiazolamine, 5-chloro-2-(1,1-dimethylethyl)-
CAS No:58460-31-4
MF:C11H13ClN2S
MW:240.752320051193
CID:341987
PubChem ID:71443556
Update Time:2025-04-19
6-Benzothiazolamine, 5-chloro-2-(1,1-dimethylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 6-Benzothiazolamine, 5-chloro-2-(1,1-dimethylethyl)-
- 2-tert-butyl-5-chloro-1,3-benzothiazol-6-amine
- DTXSID50852379
- 58460-31-4
-
- Inchi： 1S/C11H13ClN2S/c1-11(2,3)10-14-8-4-6(12)7(13)5-9(8)15-10/h4-5H,13H2,1-3H3
- InChI Key： SKQPNPJRMPRLJS-UHFFFAOYSA-N
- SMILES： ClC1C(=CC2=C(C=1)N=C(C(C)(C)C)S2)N
Computed Properties
- Exact Mass: 240.04899
- Monoisotopic Mass: 240.0487973g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 1
- Complexity: 241
- 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: 4
- Topological Polar Surface Area: 67.2?2
Experimental Properties
- PSA: 38.91
6-Benzothiazolamine, 5-chloro-2-(1,1-dimethylethyl)- Related Literature
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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J. M. Granadino-Roldán,M. Fernández-Gómez,A. Navarro,T. Pe?a Ruiz,U. A. Jayasooriya Phys. Chem. Chem. Phys., 2004,6, 1133-1143
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Alvin Tanudjaja,Shinsuke Inagi,Fusao Kitamura,Toshikazu Takata,Ikuyoshi Tomita Dalton Trans., 2021,50, 3037-3043
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