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89570-11-6 | 1,2,4-Dithiazolidin-3-one, 4-(2,2-dimethylpropyl)-5-thioxo-
CAS No: 89570-11-6 Catalog No: AG003XXU MDL No:
Product Description
Catalog Number:
AG003XXU
Chemical Name:
1,2,4-Dithiazolidin-3-one, 4-(2,2-dimethylpropyl)-5-thioxo-
CAS Number:
89570-11-6
Molecular Formula:
C7H11NOS3
Molecular Weight:
221.3633
IUPAC Name:
4-(2,2-dimethylpropyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-one
InChI:
InChI=1S/C7H11NOS3/c1-7(2,3)4-8-5(9)11-12-6(8)10/h4H2,1-3H3
InChI Key:
MCRTUMIVGFBQBV-UHFFFAOYSA-N
SMILES:
O=c1ssc(=S)n1CC(C)(C)C
Properties
Complexity:
221
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
221g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
221.351g/mol
Monoisotopic Mass:
221g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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