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138107-42-3 | 2(3H)-Benzothiazolethione, 5-methoxy-3-methyl-
CAS No: 138107-42-3 Catalog No: AG0017ZS MDL No:
Product Description
Catalog Number:
AG0017ZS
Chemical Name:
2(3H)-Benzothiazolethione, 5-methoxy-3-methyl-
CAS Number:
138107-42-3
Molecular Formula:
C9H9NOS2
Molecular Weight:
211.3039
IUPAC Name:
5-methoxy-3-methyl-1,3-benzothiazole-2-thione
InChI:
InChI=1S/C9H9NOS2/c1-10-7-5-6(11-2)3-4-8(7)13-9(10)12/h3-5H,1-2H3
InChI Key:
RZAOTRKQJDYGIP-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)n(C)c(=S)s2
Properties
Complexity:
222
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:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.297g/mol
Monoisotopic Mass:
211.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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