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37530-35-1 | 5-(3-HYDROXY-BENZYLIDENE)-2-THIOXO-THIAZOLIDIN-4-ONE
CAS No: 37530-35-1 Catalog No: AG00C6M9 MDL No:MFCD04054471
Product Description
Catalog Number:
AG00C6M9
Chemical Name:
5-(3-HYDROXY-BENZYLIDENE)-2-THIOXO-THIAZOLIDIN-4-ONE
CAS Number:
37530-35-1
Molecular Formula:
C10H7NO2S2
Molecular Weight:
237.2981
MDL Number:
MFCD04054471
IUPAC Name:
(5E)-5-[(3-hydroxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H7NO2S2/c12-7-3-1-2-6(4-7)5-8-9(13)11-10(14)15-8/h1-5,12H,(H,11,13,14)/b8-5+
InChI Key:
ZCQNEHSJTBPNPT-VMPITWQZSA-N
SMILES:
Oc1cccc(c1)/C=C\1/SC(=NC1=O)S
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
236.992g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
237.291g/mol
Monoisotopic Mass:
236.992g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
107A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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