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20077-87-6 | 5-Benzothiazolemethanol, α,2-dimethyl-
CAS No: 20077-87-6 Catalog No: AG002CXV MDL No:
Product Description
Catalog Number:
AG002CXV
Chemical Name:
5-Benzothiazolemethanol, α,2-dimethyl-
CAS Number:
20077-87-6
Molecular Formula:
C10H11NOS
Molecular Weight:
193.2654
IUPAC Name:
1-(2-methyl-1,3-benzothiazol-5-yl)ethanol
InChI:
InChI=1S/C10H11NOS/c1-6(12)8-3-4-10-9(5-8)11-7(2)13-10/h3-6,12H,1-2H3
InChI Key:
VPTKWRFYAYTYDL-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)cc(cc2)C(O)C
Properties
Complexity:
188
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
193.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
193.264g/mol
Monoisotopic Mass:
193.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
61.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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