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1732-45-2 | Isothiazole, 3-methyl-5-phenyl-
CAS No: 1732-45-2 Catalog No: AG001YPA MDL No:MFCD01416613
Product Description
Catalog Number:
AG001YPA
Chemical Name:
Isothiazole, 3-methyl-5-phenyl-
CAS Number:
1732-45-2
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
MDL Number:
MFCD01416613
IUPAC Name:
3-methyl-5-phenyl-1,2-thiazole
InChI:
InChI=1S/C10H9NS/c1-8-7-10(12-11-8)9-5-3-2-4-6-9/h2-7H,1H3
InChI Key:
UAHWBAYZJSQQJY-UHFFFAOYSA-N
SMILES:
Cc1nsc(c1)c1ccccc1
Properties
Complexity:
143
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.046g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.249g/mol
Monoisotopic Mass:
175.046g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
Literature
| Title | Journal |
|---|---|
| [Study on the chemical constituents in the volatile oils of the flowers of Tibetan medicine Rhododendron anthopogon]. | Zhong yao cai = Zhongyaocai = Journal of Chinese medicinal materials 20100101 |
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