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89570-08-1 | 1,2,4-Dithiazolidin-3-one, 4-(2-methylpropyl)-5-thioxo-
CAS No: 89570-08-1 Catalog No: AG003XXV MDL No:
Product Description
Catalog Number:
AG003XXV
Chemical Name:
1,2,4-Dithiazolidin-3-one, 4-(2-methylpropyl)-5-thioxo-
CAS Number:
89570-08-1
Molecular Formula:
C6H9NOS3
Molecular Weight:
207.3368
IUPAC Name:
4-(2-methylpropyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-one
InChI:
InChI=1S/C6H9NOS3/c1-4(2)3-7-5(8)10-11-6(7)9/h4H,3H2,1-2H3
InChI Key:
BRJOGAPTEIPZEO-UHFFFAOYSA-N
SMILES:
CC(Cn1c(=O)ssc1=S)C
Properties
Complexity:
192
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.985g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.324g/mol
Monoisotopic Mass:
206.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
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