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Home > Thiazole > 1188235-07-5
1188235-07-5 | (5-methyl-1,3-benzothiazol-2-yl)methanol
CAS No: 1188235-07-5 Catalog No: AG01DYGY MDL No:MFCD17182151
Product Description
Catalog Number:
AG01DYGY
Chemical Name:
(5-methyl-1,3-benzothiazol-2-yl)methanol
CAS Number:
1188235-07-5
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
MDL Number:
MFCD17182151
IUPAC Name:
(5-methyl-1,3-benzothiazol-2-yl)methanol
InChI:
InChI=1S/C9H9NOS/c1-6-2-3-8-7(4-6)10-9(5-11)12-8/h2-4,11H,5H2,1H3
InChI Key:
GNRRZNYKSUFWTH-UHFFFAOYSA-N
SMILES:
OCc1nc2c(s1)ccc(c2)C
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:
1
Isotope Atom Count:
0
Molecular Weight:
179.237g/mol
Monoisotopic Mass:
179.04g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9
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