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89570-22-9 | 1,2,4-Dithiazolidin-3-one, 4-(1-phenylethyl)-5-thioxo-
CAS No: 89570-22-9 Catalog No: AG0086LJ MDL No:
Product Description
Catalog Number:
AG0086LJ
Chemical Name:
1,2,4-Dithiazolidin-3-one, 4-(1-phenylethyl)-5-thioxo-
CAS Number:
89570-22-9
Molecular Formula:
C10H9NOS3
Molecular Weight:
255.3796
IUPAC Name:
4-(1-phenylethyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-one
InChI:
InChI=1S/C10H9NOS3/c1-7(8-5-3-2-4-6-8)11-9(12)14-15-10(11)13/h2-7H,1H3
InChI Key:
SRNOCRDXVFQCTA-UHFFFAOYSA-N
SMILES:
O=c1ssc(=S)n1C(c1ccccc1)C
Properties
Complexity:
276
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
255.368g/mol
Monoisotopic Mass:
254.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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