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591761-91-0 | 3-Methyl-2-(3-methylsulfanyl-phenylimino)-thiazolidin-4-one
CAS No: 591761-91-0 Catalog No: AG016K8W MDL No:
Product Description
Catalog Number:
AG016K8W
Chemical Name:
3-Methyl-2-(3-methylsulfanyl-phenylimino)-thiazolidin-4-one
CAS Number:
591761-91-0
Molecular Formula:
C11H12N2OS2
Molecular Weight:
252.3558
IUPAC Name:
3-methyl-2-(3-methylsulfanylphenyl)imino-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H12N2OS2/c1-13-10(14)7-16-11(13)12-8-4-3-5-9(6-8)15-2/h3-6H,7H2,1-2H3
InChI Key:
QIQPVIMJGPXLFI-UHFFFAOYSA-N
SMILES:
CSc1cccc(c1)/N=C/1\SCC(=O)N1C
Properties
Complexity:
306
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.039g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
252.35g/mol
Monoisotopic Mass:
252.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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