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10574-68-2 | 4-Thiazolidinone, 3-(1-methylethyl)-2-thioxo-
CAS No: 10574-68-2 Catalog No: AG007FH1 MDL No:
Product Description
Catalog Number:
AG007FH1
Chemical Name:
4-Thiazolidinone, 3-(1-methylethyl)-2-thioxo-
CAS Number:
10574-68-2
Molecular Formula:
C6H9NOS2
Molecular Weight:
175.2718
IUPAC Name:
3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C6H9NOS2/c1-4(2)7-5(8)3-10-6(7)9/h4H,3H2,1-2H3
InChI Key:
RDTCWIVFHBFWAI-UHFFFAOYSA-N
SMILES:
CC(N1C(=S)SCC1=O)C
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.013g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.264g/mol
Monoisotopic Mass:
175.013g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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