Cas no 26269-07-8 (6-Benzothiazolol,2-(methylamino)-)
26269-07-8 structure
Product Name:6-Benzothiazolol,2-(methylamino)-
CAS No:26269-07-8
MF:C8H8N2OS
MW:180.226920127869
CID:242612
Update Time:2024-01-26
6-Benzothiazolol,2-(methylamino)- Chemical and Physical Properties
Names and Identifiers
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- 6-Benzothiazolol,2-(methylamino)-
- 6-Benzothiazolol,2-(methylamino)-(8CI)
- 6-Benzothiazolol, 2-(methylamino)-
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- Inchi： 1S/C8H8N2OS/c1-9-8-10-6-3-2-5(11)4-7(6)12-8/h2-4,11H,1H3,(H,9,10)
- InChI Key： ASNJMOABCKEFHD-UHFFFAOYSA-N
- SMILES： S1C2=CC(O)=CC=C2N=C1NC
Computed Properties
- Exact Mass: 180.03584
- Monoisotopic Mass: 180.036
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 12
- Rotatable Bond Count: 1
- Complexity: 167
- 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: 2.5
- Topological Polar Surface Area: 73.4A^2
Experimental Properties
- Density: 1.451±0.06 g/cm3(Predicted)
- Melting Point: 238-240 °C
- Boiling Point: 343.5±34.0 °C(Predicted)
- PSA: 45.15
- pka: 9.17±0.40(Predicted)
6-Benzothiazolol,2-(methylamino)- Related Literature
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Hongxia Li,Aikifa Raza,Qiaoyu Ge,Jin-You Lu,TieJun Zhang Soft Matter, 2020,16, 6841-6849
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Qiyuan Wu,Shangmin Xiong,Peichuan Shen,Shen Zhao,Alexander Orlov Catal. Sci. Technol., 2015,5, 2059-2064
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Long Deng,Qian Zou,Biao Liu,Wenhui Ye,Chengfei Zhuo,Li Chen,Ze-Yuan Deng,Ya-Wei Fan,Jing Li Food Funct., 2018,9, 4234-4245
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