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4703-95-1 | 4-Thiazolidinone,3-(2-furanylmethyl)-2-thioxo-
CAS No: 4703-95-1 Catalog No: AG0071PP MDL No:MFCD00030652
Product Description
Catalog Number:
AG0071PP
Chemical Name:
4-Thiazolidinone,3-(2-furanylmethyl)-2-thioxo-
CAS Number:
4703-95-1
Molecular Formula:
C8H7NO2S2
Molecular Weight:
213.2767
MDL Number:
MFCD00030652
IUPAC Name:
3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C8H7NO2S2/c10-7-5-13-8(12)9(7)4-6-2-1-3-11-6/h1-3H,4-5H2
InChI Key:
POEGXFNVFURMLC-UHFFFAOYSA-N
SMILES:
O=C1CSC(=S)N1Cc1ccco1
Properties
Complexity:
244
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
212.992g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
213.269g/mol
Monoisotopic Mass:
212.992g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
90.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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