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73443-84-2 | 4-Methylbenzo[d]thiazol-2(3H)-one
CAS No: 73443-84-2 Catalog No: AG005E0G MDL No:MFCD03840702
Product Description
Catalog Number:
AG005E0G
Chemical Name:
4-Methylbenzo[d]thiazol-2(3H)-one
CAS Number:
73443-84-2
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD03840702
IUPAC Name:
4-methyl-3H-1,3-benzothiazol-2-one
InChI:
InChI=1S/C8H7NOS/c1-5-3-2-4-6-7(5)9-8(10)11-6/h2-4H,1H3,(H,9,10)
InChI Key:
MAIYZXCYLAJOFK-UHFFFAOYSA-N
SMILES:
O=c1sc2c([nH]1)c(C)ccc2
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.025g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
165.21g/mol
Monoisotopic Mass:
165.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
54.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2
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