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89570-10-5 | 1,2,4-Dithiazolidin-3-one, 4-(3-methylbutyl)-5-thioxo-
CAS No: 89570-10-5 Catalog No: AG003Z9Q MDL No:
Product Description
Catalog Number:
AG003Z9Q
Chemical Name:
1,2,4-Dithiazolidin-3-one, 4-(3-methylbutyl)-5-thioxo-
CAS Number:
89570-10-5
Molecular Formula:
C7H11NOS3
Molecular Weight:
221.3633
IUPAC Name:
4-(3-methylbutyl)-5-sulfanylidene-1,2,4-dithiazolidin-3-one
InChI:
InChI=1S/C7H11NOS3/c1-5(2)3-4-8-6(9)11-12-7(8)10/h5H,3-4H2,1-2H3
InChI Key:
SDYJBHKHKNRCIQ-UHFFFAOYSA-N
SMILES:
CC(CCn1c(=O)ssc1=S)C
Properties
Complexity:
205
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:
3
Topological Polar Surface Area:
103A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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