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Home > Pyridines > 1154593-09-5
1154593-09-5 | N-ethyl-4-sulfanylpyridine-2-carboxamide
CAS No: 1154593-09-5 Catalog No: AG019YOO MDL No:MFCD12189520
Product Description
Catalog Number:
AG019YOO
Chemical Name:
N-ethyl-4-sulfanylpyridine-2-carboxamide
CAS Number:
1154593-09-5
Molecular Formula:
C8H10N2OS
Molecular Weight:
182.2428
MDL Number:
MFCD12189520
IUPAC Name:
N-ethyl-4-sulfanylidene-1H-pyridine-2-carboxamide
InChI:
InChI=1S/C8H10N2OS/c1-2-9-8(11)7-5-6(12)3-4-10-7/h3-5H,2H2,1H3,(H,9,11)(H,10,12)
InChI Key:
XHRCKVIFBZPNKL-UHFFFAOYSA-N
SMILES:
CCNC(=O)c1cc(S)ccn1
Properties
Complexity:
268
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.051g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
182.241g/mol
Monoisotopic Mass:
182.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
73.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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