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89570-23-0 | 1,2,4-Dithiazolidin-3-one, 4-(diphenylmethyl)-5-thioxo-
CAS No: 89570-23-0 Catalog No: AG0086LI MDL No:
Product Description
Catalog Number:
AG0086LI
Chemical Name:
1,2,4-Dithiazolidin-3-one, 4-(diphenylmethyl)-5-thioxo-
CAS Number:
89570-23-0
Molecular Formula:
C15H11NOS3
Molecular Weight:
317.4489
IUPAC Name:
4-benzhydryl-5-sulfanylidene-1,2,4-dithiazolidin-3-one
InChI:
InChI=1S/C15H11NOS3/c17-14-16(15(18)20-19-14)13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
InChI Key:
UYZXSZCOLYNUFT-UHFFFAOYSA-N
SMILES:
O=c1ssc(=S)n1C(c1ccccc1)c1ccccc1
Properties
Complexity:
357
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
317g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
317.439g/mol
Monoisotopic Mass:
317g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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