Name: Name:3,3-bis(methylsulfanyl)-1-(pyridin-3-yl)prop-2-en-1-one
Brand: Angene
SKU: AG01A9J8
Rating: 90 (10 reviews)

3,3-bis(methylsulfanyl)-1-(pyridin-3-yl)prop-2-en-1-one

CAS No.:

68192-56-3

Catalog Number:

AG01A9J8

Molecular Formula:

C10H11NOS2

Molecular Weight:

225.3304

Catalog Number:

AG01A9J8

Chemical Name:

3,3-bis(methylsulfanyl)-1-(pyridin-3-yl)prop-2-en-1-one

CAS Number:

68192-56-3

Molecular Formula:

C10H11NOS2

Molecular Weight:

225.3304

MDL Number:

MFCD16622106

IUPAC Name:

3,3-bis(methylsulfanyl)-1-pyridin-3-ylprop-2-en-1-one

InChI:

InChI=1S/C10H11NOS2/c1-13-10(14-2)6-9(12)8-4-3-5-11-7-8/h3-7H,1-2H3

InChI Key:

RERQKHGHVWXMAV-UHFFFAOYSA-N

SMILES:

CSC(=CC(=O)c1cccnc1)SC

Complexity:

222

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

225.028g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

225.324g/mol

Monoisotopic Mass:

225.028g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

80.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9