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39123-31-4 | 4-Thiazolidinone,3-propyl-2-thioxo-
CAS No: 39123-31-4 Catalog No: AG0076IF MDL No:
Product Description
Catalog Number:
AG0076IF
Chemical Name:
4-Thiazolidinone,3-propyl-2-thioxo-
CAS Number:
39123-31-4
Molecular Formula:
C6H9NOS2
Molecular Weight:
175.2718
IUPAC Name:
3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C6H9NOS2/c1-2-3-7-5(8)4-10-6(7)9/h2-4H2,1H3
InChI Key:
KKDLWQFJOGDMBI-UHFFFAOYSA-N
SMILES:
CCCN1C(=S)SCC1=O
EC Number:
254-305-0
Properties
Complexity:
169
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:
2
Topological Polar Surface Area:
77.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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