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Home > Pyridines > 175277-23-3
175277-23-3 | 3-Pyridinecarbonitrile, 6-(dimethoxymethyl)-1,2-dihydro-2-thioxo-
CAS No: 175277-23-3 Catalog No: AG0020S7 MDL No:MFCD00173693
Product Description
Catalog Number:
AG0020S7
Chemical Name:
3-Pyridinecarbonitrile, 6-(dimethoxymethyl)-1,2-dihydro-2-thioxo-
CAS Number:
175277-23-3
Molecular Formula:
C9H10N2O2S
Molecular Weight:
210.2529
MDL Number:
MFCD00173693
IUPAC Name:
6-(dimethoxymethyl)-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C9H10N2O2S/c1-12-9(13-2)7-4-3-6(5-10)8(14)11-7/h3-4,9H,1-2H3,(H,11,14)
InChI Key:
LUCKKEJFFWYHFJ-UHFFFAOYSA-N
SMILES:
COC(c1ccc(c(=S)[nH]1)C#N)OC
Properties
Complexity:
347
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.046g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.251g/mol
Monoisotopic Mass:
210.046g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
86.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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