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36412-26-7 | Isothiazole,4-(phenylmethyl)-
CAS No: 36412-26-7 Catalog No: AG007A2R MDL No:
Product Description
Catalog Number:
AG007A2R
Chemical Name:
Isothiazole,4-(phenylmethyl)-
CAS Number:
36412-26-7
Molecular Formula:
C10H9NS
Molecular Weight:
175.2502
IUPAC Name:
4-benzyl-1,2-thiazole
InChI:
InChI=1S/C10H9NS/c1-2-4-9(5-3-1)6-10-7-11-12-8-10/h1-5,7-8H,6H2
InChI Key:
YEPBKWKFFVWMDX-UHFFFAOYSA-N
SMILES:
c1ccc(cc1)Cc1csnc1
Properties
Complexity:
132
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:
2
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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