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10514-23-5 | Isothiazole, 4-(4-methylphenyl)-
CAS No: 10514-23-5 Catalog No: AG007FGF MDL No:
Product Description
Catalog Number:
AG007FGF
Chemical Name:
Isothiazole, 4-(4-methylphenyl)-
CAS Number:
10514-23-5
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
IUPAC Name:
4-(4-methylphenyl)-1,2-thiazole
InChI:
InChI=1S/C10H9NS/c1-8-2-4-9(5-3-8)10-6-11-12-7-10/h2-7H,1H3
InChI Key:
TVVCBRUXWKWEPY-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)c1csnc1
Properties
Complexity:
141
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
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