Name: Name:3-cyclopentyl-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
Brand: Angene
SKU: AG019ITM
Rating: 90 (10 reviews)

3-cyclopentyl-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS No.:

733031-03-3

Catalog Number:

AG019ITM

Molecular Formula:

C13H16N2OS2

Molecular Weight:

280.4089

Catalog Number:

AG019ITM

Chemical Name:

3-cyclopentyl-5,6-dimethyl-2-sulfanyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS Number:

733031-03-3

Molecular Formula:

C13H16N2OS2

Molecular Weight:

280.4089

MDL Number:

MFCD04635911

IUPAC Name:

3-cyclopentyl-5,6-dimethyl-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

InChI:

InChI=1S/C13H16N2OS2/c1-7-8(2)18-11-10(7)12(16)15(13(17)14-11)9-5-3-4-6-9/h9H,3-6H2,1-2H3,(H,14,17)

InChI Key:

QOOVGMDLTORJNS-UHFFFAOYSA-N

SMILES:

Sc1nc2sc(c(c2c(=O)n1C1CCCC1)C)C

Complexity:

381

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

280.07g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

280.404g/mol

Monoisotopic Mass:

280.07g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.3