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929975-82-6 | ethyl 5-cyano-6-sulfanylpyridine-2-carboxylate
CAS No: 929975-82-6 Catalog No: AG01FKFD MDL No:
Product Description
Catalog Number:
AG01FKFD
Chemical Name:
ethyl 5-cyano-6-sulfanylpyridine-2-carboxylate
CAS Number:
929975-82-6
Molecular Formula:
C9H8N2O2S
Molecular Weight:
208.2370
IUPAC Name:
ethyl 5-cyano-6-sulfanylidene-1H-pyridine-2-carboxylate
InChI:
InChI=1S/C9H8N2O2S/c1-2-13-9(12)7-4-3-6(5-10)8(14)11-7/h3-4H,2H2,1H3,(H,11,14)
InChI Key:
AIVAUGDZZWSQFQ-UHFFFAOYSA-N
SMILES:
CCOC(=O)c1ccc(c(n1)S)C#N
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
208.031g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
208.235g/mol
Monoisotopic Mass:
208.031g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
94.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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