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28996-51-2 | 4(5H)-Thiazolone, 2-(methylthio)-5-(phenylmethylene)-
CAS No: 28996-51-2 Catalog No: AG002V5A MDL No:
Product Description
Catalog Number:
AG002V5A
Chemical Name:
4(5H)-Thiazolone, 2-(methylthio)-5-(phenylmethylene)-
CAS Number:
28996-51-2
Molecular Formula:
C11H9NOS2
Molecular Weight:
235.3253
IUPAC Name:
5-benzylidene-2-methylsulfanyl-1,3-thiazol-4-one
InChI:
InChI=1S/C11H9NOS2/c1-14-11-12-10(13)9(15-11)7-8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
NULFHNBGVYXBKE-UHFFFAOYSA-N
SMILES:
CSC1=NC(=O)C(=Cc2ccccc2)S1
Properties
Complexity:
317
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
235.013g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
235.319g/mol
Monoisotopic Mass:
235.013g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
3.4
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