Name: Name:6-(5-methylfuran-2-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile
Brand: Angene
SKU: AG01AI36
Rating: 90 (10 reviews)

6-(5-methylfuran-2-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

CAS No.:

1014623-05-2

Catalog Number:

AG01AI36

Molecular Formula:

C12H7F3N2OS

Molecular Weight:

284.2570

Catalog Number:

AG01AI36

Chemical Name:

6-(5-methylfuran-2-yl)-2-sulfanyl-4-(trifluoromethyl)pyridine-3-carbonitrile

CAS Number:

1014623-05-2

Molecular Formula:

C12H7F3N2OS

Molecular Weight:

284.2570

MDL Number:

MFCD13813389

IUPAC Name:

6-(5-methylfuran-2-yl)-2-sulfanylidene-4-(trifluoromethyl)-1H-pyridine-3-carbonitrile

InChI:

InChI=1S/C12H7F3N2OS/c1-6-2-3-10(18-6)9-4-8(12(13,14)15)7(5-16)11(19)17-9/h2-4H,1H3,(H,17,19)

InChI Key:

JYJXZGZPCUSQMH-UHFFFAOYSA-N

SMILES:

N#Cc1c(S)nc(cc1C(F)(F)F)c1ccc(o1)C

Complexity:

527

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

284.023g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

284.256g/mol

Monoisotopic Mass:

284.023g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

81A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3