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Home > Thiazole > 1190310-57-6
1190310-57-6 | Benzothiazole, 6-methoxy-4-methyl-
CAS No: 1190310-57-6 Catalog No: AG000HFT MDL No:
Product Description
Catalog Number:
AG000HFT
Chemical Name:
Benzothiazole, 6-methoxy-4-methyl-
CAS Number:
1190310-57-6
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
IUPAC Name:
6-methoxy-4-methyl-1,3-benzothiazole
InChI:
InChI=1S/C9H9NOS/c1-6-3-7(11-2)4-8-9(6)10-5-12-8/h3-5H,1-2H3
InChI Key:
AWMDVGVHBRAINU-UHFFFAOYSA-N
SMILES:
COc1cc(C)c2c(c1)scn2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.04g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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