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52560-89-1 | 2-Thiophenecarboxamide,5-(2,3-dihydro-2-thioxo-4-thiazolyl)-
CAS No: 52560-89-1 Catalog No: AG00I9EO MDL No:
Product Description
Catalog Number:
AG00I9EO
Chemical Name:
2-Thiophenecarboxamide,5-(2,3-dihydro-2-thioxo-4-thiazolyl)-
CAS Number:
52560-89-1
Molecular Formula:
C8H6N2OS3
Molecular Weight:
242.3410
IUPAC Name:
5-(2-sulfanylidene-3H-1,3-thiazol-4-yl)thiophene-2-carboxamide
InChI:
InChI=1S/C8H6N2OS3/c9-7(11)6-2-1-5(14-6)4-3-13-8(12)10-4/h1-3H,(H2,9,11)(H,10,12)
InChI Key:
AMSLEHALZQXAOV-UHFFFAOYSA-N
SMILES:
NC(=O)c1ccc(s1)c1csc(=S)[nH]1
NSC Number:
317939
Properties
Complexity:
316
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.964g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
242.329g/mol
Monoisotopic Mass:
241.964g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
141A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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