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199464-76-1 | Benzothiazole, 5-methoxy-2-methyl-6-(methylthio)-
CAS No: 199464-76-1 Catalog No: AG002C4T MDL No:MFCD00160067
Product Description
Catalog Number:
AG002C4T
Chemical Name:
Benzothiazole, 5-methoxy-2-methyl-6-(methylthio)-
CAS Number:
199464-76-1
Molecular Formula:
C10H11NOS2
Molecular Weight:
225.3304
MDL Number:
MFCD00160067
IUPAC Name:
5-methoxy-2-methyl-6-methylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C10H11NOS2/c1-6-11-7-4-8(12-2)10(13-3)5-9(7)14-6/h4-5H,1-3H3
InChI Key:
GWLKCQDLVAXDDK-UHFFFAOYSA-N
SMILES:
COc1cc2nc(sc2cc1SC)C
Properties
Complexity:
203
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.028g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.324g/mol
Monoisotopic Mass:
225.028g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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