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725221-48-7 | (5E)-5-[(5-ethyl-2-thienyl)methylene]-2-mercapto-1,3-thiazol-4(5H)-one
CAS No: 725221-48-7 Catalog No: AG00JCD5 MDL No:MFCD03423533
Product Description
Catalog Number:
AG00JCD5
Chemical Name:
(5E)-5-[(5-ethyl-2-thienyl)methylene]-2-mercapto-1,3-thiazol-4(5H)-one
CAS Number:
725221-48-7
Molecular Formula:
C10H9NOS3
Molecular Weight:
255.3796
MDL Number:
MFCD03423533
IUPAC Name:
(5E)-5-[(5-ethylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C10H9NOS3/c1-2-6-3-4-7(14-6)5-8-9(12)11-10(13)15-8/h3-5H,2H2,1H3,(H,11,12,13)/b8-5+
InChI Key:
MJUMMJJNEVJGQO-VMPITWQZSA-N
SMILES:
CCc1ccc(s1)/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:
254.985g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
255.368g/mol
Monoisotopic Mass:
254.985g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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