Name: Name:5,6-DIMETHYL-3-PHENYL-2-THIOXO-2,3-DIHYDROTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE
Brand: Angene
SKU: AG00EJ54
Rating: 90 (10 reviews)

5,6-DIMETHYL-3-PHENYL-2-THIOXO-2,3-DIHYDROTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE

CAS No.:

59898-64-5

Catalog Number:

AG00EJ54

Molecular Formula:

C14H12N2OS2

Molecular Weight:

288.3879

Catalog Number:

AG00EJ54

Chemical Name:

5,6-DIMETHYL-3-PHENYL-2-THIOXO-2,3-DIHYDROTHIENO[2,3-D]PYRIMIDIN-4(1H)-ONE

CAS Number:

59898-64-5

Molecular Formula:

C14H12N2OS2

Molecular Weight:

288.3879

MDL Number:

MFCD00519014

IUPAC Name:

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

InChI:

InChI=1S/C14H12N2OS2/c1-8-9(2)19-12-11(8)13(17)16(14(18)15-12)10-6-4-3-5-7-10/h3-7H,1-2H3,(H,15,18)

InChI Key:

BRIBZHXSWJHTQD-UHFFFAOYSA-N

SMILES:

Sc1nc2sc(c(c2c(=O)n1c1ccccc1)C)C

Complexity:

395

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

288.039g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

288.383g/mol

Monoisotopic Mass:

288.039g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.6