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89570-18-3 | 1,2,4-Dithiazolidin-3-one, 4-[(2-chlorophenyl)methyl]-5-thioxo-
CAS No: 89570-18-3 Catalog No: AG003Z9O MDL No:
Product Description
Catalog Number:
AG003Z9O
Chemical Name:
1,2,4-Dithiazolidin-3-one, 4-[(2-chlorophenyl)methyl]-5-thioxo-
CAS Number:
89570-18-3
Molecular Formula:
C9H6ClNOS3
Molecular Weight:
275.7980
IUPAC Name:
4-[(2-chlorophenyl)methyl]-5-sulfanylidene-1,2,4-dithiazolidin-3-one
InChI:
InChI=1S/C9H6ClNOS3/c10-7-4-2-1-3-6(7)5-11-8(12)14-15-9(11)13/h1-4H,5H2
InChI Key:
BVPQBMYRALKRHL-UHFFFAOYSA-N
SMILES:
Clc1ccccc1Cn1c(=O)ssc1=S
Properties
Complexity:
287
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
274.93g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
275.783g/mol
Monoisotopic Mass:
274.93g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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