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93300-80-2 | 4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyridine-3-carbonitrile, morpholine
CAS No: 93300-80-2 Catalog No: AG019LNR MDL No:MFCD00716333
Product Description
Catalog Number:
AG019LNR
Chemical Name:
4-methyl-6-oxo-2-sulfanyl-1,6-dihydropyridine-3-carbonitrile, morpholine
CAS Number:
93300-80-2
Molecular Formula:
C11H15N3O2S
Molecular Weight:
253.3207
MDL Number:
MFCD00716333
IUPAC Name:
4-methyl-6-oxo-2-sulfanylidene-3H-pyridine-3-carbonitrile;morpholine
InChI:
InChI=1S/C7H6N2OS.C4H9NO/c1-4-2-6(10)9-7(11)5(4)3-8;1-3-6-4-2-5-1/h2,5H,1H3,(H,9,10,11);5H,1-4H2
InChI Key:
PPMKFLGWLLNDQV-UHFFFAOYSA-N
SMILES:
C1CNCCO1.N#Cc1c(C)cc(=O)[nH]c1S
Properties
Complexity:
331
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.088g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.32g/mol
Monoisotopic Mass:
253.088g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
106A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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