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181820-03-1 | 5-Benzothiazolemethanol, α-methyl-
CAS No: 181820-03-1 Catalog No: AG00234Z MDL No:
Product Description
Catalog Number:
AG00234Z
Chemical Name:
5-Benzothiazolemethanol, α-methyl-
CAS Number:
181820-03-1
Molecular Formula:
C9H9NOS
Molecular Weight:
179.2389
IUPAC Name:
1-(1,3-benzothiazol-5-yl)ethanol
InChI:
InChI=1S/C9H9NOS/c1-6(11)7-2-3-9-8(4-7)10-5-12-9/h2-6,11H,1H3
InChI Key:
OKPBVDZHVNDNKR-UHFFFAOYSA-N
SMILES:
CC(c1ccc2c(c1)ncs2)O
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:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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