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142979-66-6 | Carbamodithioic acid,(4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester (9CI)
CAS No: 142979-66-6 Catalog No: AG007Z6Q MDL No:
Product Description
Catalog Number:
AG007Z6Q
Chemical Name:
Carbamodithioic acid,(4-methylphenyl)-, 4-oxo-3-phenyl-2-thioxo-5-thiazolidinyl ester (9CI)
CAS Number:
142979-66-6
Molecular Formula:
C17H14N2OS4
Molecular Weight:
390.5659
IUPAC Name:
(4-oxo-3-phenyl-2-sulfanylidene-1,3-thiazolidin-5-yl) N-(4-methylphenyl)carbamodithioate
InChI:
InChI=1S/C17H14N2OS4/c1-11-7-9-12(10-8-11)18-16(21)23-15-14(20)19(17(22)24-15)13-5-3-2-4-6-13/h2-10,15H,1H3,(H,18,21)
InChI Key:
CATDXHPAOIVIJF-UHFFFAOYSA-N
SMILES:
S=C(SC1SC(=S)N(C1=O)c1ccccc1)Nc1ccc(cc1)C
Properties
Complexity:
499
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
389.999g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
390.552g/mol
Monoisotopic Mass:
389.999g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
147A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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