Cas no 192948-02-0 (7-Benzothiazolecarboxylicacid, 2-(methylamino)-)
192948-02-0 structure
Product Name:7-Benzothiazolecarboxylicacid, 2-(methylamino)-
CAS No:192948-02-0
MF:C9H8N2O2S
MW:208.237020492554
CID:116274
PubChem ID:15510079
Update Time:2025-04-18
7-Benzothiazolecarboxylicacid, 2-(methylamino)- Chemical and Physical Properties
Names and Identifiers
-
- 7-Benzothiazolecarboxylicacid, 2-(methylamino)-
- 2-(methylamino)-1,3-benzothiazole-7-carboxylic acid
- 2-methylamino-benzothiazole-7-carboxylic acid
- 7-Benzothiazolecarboxylic acid,2-(methylamino)
- 7-Benzothiazolecarboxylicacid,2-(methylamino)-(9CI)
- 7-Benzothiazolecarboxylicacid,2-(methylamino)-
- SCHEMBL7556888
- UYFXSHKUOGBFTE-UHFFFAOYSA-N
- 192948-02-0
- DTXSID30573494
-
- Inchi： 1S/C9H8N2O2S/c1-10-9-11-6-4-2-3-5(8(12)13)7(6)14-9/h2-4H,1H3,(H,10,11)(H,12,13)
- InChI Key： UYFXSHKUOGBFTE-UHFFFAOYSA-N
- SMILES： S1C(NC)=NC2C=CC=C(C(=O)O)C1=2
Computed Properties
- Exact Mass: 208.03100
- Monoisotopic Mass: 208.03064868g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 14
- Rotatable Bond Count: 2
- Complexity: 237
- 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: 2.2
- Topological Polar Surface Area: 90.5?2
Experimental Properties
- PSA: 90.46000
- LogP: 2.10920
7-Benzothiazolecarboxylicacid, 2-(methylamino)- 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
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Fuming Xiao,Mengzhu Wang,Yunxiang Lei,Wenbo Dai,Yunbing Zhou,Miaochang Liu,Wenxia Gao,Xiaobo Huang,Huayue Wu J. Mater. Chem. C, 2020,8, 17410-17416
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Camelia Henríquez,Edwin Palacio,Víctor Cerdà Anal. Methods, 2014,6, 8494-8504
192948-02-0 (7-Benzothiazolecarboxylicacid, 2-(methylamino)-) Related Products
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