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309290-77-5 | (5E)-2-mercapto-5-[(3-methyl-2-thienyl)methylene]-1,3-thiazol-4(5H)-one
CAS No: 309290-77-5 Catalog No: AG00JCD4 MDL No:MFCD03423534
Product Description
Catalog Number:
AG00JCD4
Chemical Name:
(5E)-2-mercapto-5-[(3-methyl-2-thienyl)methylene]-1,3-thiazol-4(5H)-one
CAS Number:
309290-77-5
Molecular Formula:
C9H7NOS3
Molecular Weight:
241.3530
MDL Number:
MFCD03423534
IUPAC Name:
(5E)-5-[(3-methylthiophen-2-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
InChI:
InChI=1S/C9H7NOS3/c1-5-2-3-13-6(5)4-7-8(11)10-9(12)14-7/h2-4H,1H3,(H,10,11,12)/b7-4+
InChI Key:
BPDHNUJGWAMQFM-QPJJXVBHSA-N
SMILES:
SC1=NC(=O)/C(=C\c2sccc2C)/S1
Properties
Complexity:
313
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1
Exact Mass:
240.969g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.341g/mol
Monoisotopic Mass:
240.969g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
115A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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