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Home > Pyridines > 852399-78-1
852399-78-1 | 4-methyl-2-sulfanyl-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
CAS No: 852399-78-1 Catalog No: AG019O5E MDL No:MFCD06655519
Product Description
Catalog Number:
AG019O5E
Chemical Name:
4-methyl-2-sulfanyl-5H,6H,7H-cyclopenta[b]pyridine-3-carbonitrile
CAS Number:
852399-78-1
Molecular Formula:
C10H10N2S
Molecular Weight:
190.2648
MDL Number:
MFCD06655519
IUPAC Name:
4-methyl-2-sulfanylidene-1,5,6,7-tetrahydrocyclopenta[b]pyridine-3-carbonitrile
InChI:
InChI=1S/C10H10N2S/c1-6-7-3-2-4-9(7)12-10(13)8(6)5-11/h2-4H2,1H3,(H,12,13)
InChI Key:
VQJXGYMFSRCMKL-UHFFFAOYSA-N
SMILES:
N#Cc1c(S)nc2c(c1C)CCC2
Properties
Complexity:
392
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.056g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
190.264g/mol
Monoisotopic Mass:
190.056g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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