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Home > Thiazole > 1190317-27-1
1190317-27-1 | 6-Benzothiazolol, 4-methyl-
CAS No: 1190317-27-1 Catalog No: AG000HQE MDL No:MFCD12962873
Product Description
Catalog Number:
AG000HQE
Chemical Name:
6-Benzothiazolol, 4-methyl-
CAS Number:
1190317-27-1
Molecular Formula:
C8H7NOS
Molecular Weight:
165.2123
MDL Number:
MFCD12962873
IUPAC Name:
4-methyl-1,3-benzothiazol-6-ol
InChI:
InChI=1S/C8H7NOS/c1-5-2-6(10)3-7-8(5)9-4-11-7/h2-4,10H,1H3
InChI Key:
ULSJSFRCUYLOLC-UHFFFAOYSA-N
SMILES:
Oc1cc(C)c2c(c1)scn2
Properties
Complexity:
153
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:
3
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:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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