Cas no 130593-23-6 (2-Benzothiazolecarboxamide,6-methoxy-4-methyl-)
130593-23-6 structure
Product Name:2-Benzothiazolecarboxamide,6-methoxy-4-methyl-
CAS No:130593-23-6
MF:C10H10N2O2S
MW:222.263600826263
CID:102575
Update Time:2024-01-24
2-Benzothiazolecarboxamide,6-methoxy-4-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2-Benzothiazolecarboxamide,6-methoxy-4-methyl-
- 2-Benzothiazolecarboxamide,6-methoxy-4-methyl-(9CI)
- 2-Benzothiazolecarboxamide, 6-methoxy-4-methyl-
-
- Inchi： 1S/C10H10N2O2S/c1-5-3-6(14-2)4-7-8(5)12-10(15-7)9(11)13/h3-4H,1-2H3,(H2,11,13)
- InChI Key： XPWKPTVOYRLQQV-UHFFFAOYSA-N
- SMILES： S1C2=CC(OC)=CC(C)=C2N=C1C(N)=O
Computed Properties
- Exact Mass: 222.0464
- Monoisotopic Mass: 222.046
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 15
- Rotatable Bond Count: 2
- Complexity: 262
- 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: 93.4A^2
Experimental Properties
- Density: 1.345±0.06 g/cm3(Predicted)
- Boiling Point: 411.1±37.0 °C(Predicted)
- PSA: 65.21
- pka: 14.90±0.30(Predicted)
2-Benzothiazolecarboxamide,6-methoxy-4-methyl- Related Literature
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2. An integrated microfluidic 3D tumor system for parallel and high-throughput chemotherapy evaluation?Dan Liu,Rui Hu,Zhongchao Huang,Meilin Sun,Kai Han Analyst, 2020,145, 6447-6455
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Teresita Carrillo-Hernández,Philippe Schaeffer,Pierre Albrecht Chem. Commun., 2001, 1976-1977
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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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