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6630-61-1 | 4-Thiazolidinone,5,5'-(1-methylethylidene)bis[3-methyl-2-thioxo-
CAS No: 6630-61-1 Catalog No: AG006NJP MDL No:
Product Description
Catalog Number:
AG006NJP
Chemical Name:
4-Thiazolidinone,5,5'-(1-methylethylidene)bis[3-methyl-2-thioxo-
CAS Number:
6630-61-1
Molecular Formula:
C11H14N2O2S4
Molecular Weight:
334.5011
IUPAC Name:
3-methyl-5-[2-(3-methyl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-yl)propan-2-yl]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C11H14N2O2S4/c1-11(2,5-7(14)12(3)9(16)18-5)6-8(15)13(4)10(17)19-6/h5-6H,1-4H3
InChI Key:
OSKORECZYVIDAB-UHFFFAOYSA-N
SMILES:
CN1C(=S)SC(C1=O)C(C1SC(=S)N(C1=O)C)(C)C
UNII:
O118O1M0GP
NSC Number:
60897
Properties
Complexity:
449
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
333.994g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
334.485g/mol
Monoisotopic Mass:
333.994g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
155A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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