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3507-36-6 | Benzothiazole, 4-methoxy-2-(methylthio)- (7CI,8CI,9CI)
CAS No: 3507-36-6 Catalog No: AG00CPDS MDL No:
Product Description
Catalog Number:
AG00CPDS
Chemical Name:
Benzothiazole, 4-methoxy-2-(methylthio)- (7CI,8CI,9CI)
CAS Number:
3507-36-6
IUPAC Name:
4-methoxy-2-methylsulfanyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NOS2/c1-11-6-4-3-5-7-8(6)10-9(12-2)13-7/h3-5H,1-2H3
InChI Key:
UKZXPSOPXQAOOX-UHFFFAOYSA-N
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.013g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.297g/mol
Monoisotopic Mass:
211.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
75.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.2
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