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369651-00-3 | 3-Thiazolidinecarboxamide, 5-methylene-N-(phenylmethyl)-2-thioxo-
CAS No: 369651-00-3 Catalog No: AG007CS2 MDL No:
Product Description
Catalog Number:
AG007CS2
Chemical Name:
3-Thiazolidinecarboxamide, 5-methylene-N-(phenylmethyl)-2-thioxo-
CAS Number:
369651-00-3
Molecular Formula:
C12H12N2OS2
Molecular Weight:
264.3665
IUPAC Name:
N-benzyl-5-methylidene-2-sulfanylidene-1,3-thiazolidine-3-carboxamide
InChI:
InChI=1S/C12H12N2OS2/c1-9-8-14(12(16)17-9)11(15)13-7-10-5-3-2-4-6-10/h2-6H,1,7-8H2,(H,13,15)
InChI Key:
JZGQZTWVNGMBIH-UHFFFAOYSA-N
SMILES:
O=C(N1CC(=C)SC1=S)NCc1ccccc1
Properties
Complexity:
337
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
264.039g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
264.361g/mol
Monoisotopic Mass:
264.039g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
89.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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