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1235440-10-4 | 3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzene-1-carbothioamide
CAS No: 1235440-10-4 Catalog No: AG019R74 MDL No:MFCD14705919
Product Description
Catalog Number:
AG019R74
Chemical Name:
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzene-1-carbothioamide
CAS Number:
1235440-10-4
Molecular Formula:
C11H10N2O2S2
Molecular Weight:
266.3393
MDL Number:
MFCD14705919
IUPAC Name:
3-[(2,4-dioxo-1,3-thiazolidin-3-yl)methyl]benzenecarbothioamide
InChI:
InChI=1S/C11H10N2O2S2/c12-10(16)8-3-1-2-7(4-8)5-13-9(14)6-17-11(13)15/h1-4H,5-6H2,(H2,12,16)
InChI Key:
MLBJLNQPKMWVHG-UHFFFAOYSA-N
SMILES:
NC(=S)c1cccc(c1)CN1C(=O)CSC1=O
Properties
Complexity:
359
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
266.018g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
266.333g/mol
Monoisotopic Mass:
266.018g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
121A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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