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313367-26-9 | Benzothiazole, 6-methoxy-2-methyl-5-(methylthio)- (9CI)
CAS No: 313367-26-9 Catalog No: AG00CPD7 MDL No:
Product Description
Catalog Number:
AG00CPD7
Chemical Name:
Benzothiazole, 6-methoxy-2-methyl-5-(methylthio)- (9CI)
CAS Number:
313367-26-9
IUPAC Name:
6-methoxy-2-methyl-5-methylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C10H11NOS2/c1-6-11-7-4-10(13-3)8(12-2)5-9(7)14-6/h4-5H,1-3H3
InChI Key:
XZINMWLOKGILJC-UHFFFAOYSA-N
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
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