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28989-47-1 | 4-Thiazolidinone, 5-(1-methylethylidene)-2-thioxo-
CAS No: 28989-47-1 Catalog No: AG002V3X MDL No:
Product Description
Catalog Number:
AG002V3X
Chemical Name:
4-Thiazolidinone, 5-(1-methylethylidene)-2-thioxo-
CAS Number:
28989-47-1
Molecular Formula:
C6H7NOS2
Molecular Weight:
173.2559
IUPAC Name:
5-propan-2-ylidene-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C6H7NOS2/c1-3(2)4-5(8)7-6(9)10-4/h1-2H3,(H,7,8,9)
InChI Key:
MZEPNNPNBSNIER-UHFFFAOYSA-N
SMILES:
S=C1NC(=O)C(=C(C)C)S1
Properties
Complexity:
228
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.997g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
173.248g/mol
Monoisotopic Mass:
172.997g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
86.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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