Name: Name:2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE
Brand: Angene
SKU: AG0073NO
Rating: 90 (10 reviews)

2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE

CAS No.:

42076-13-1

Catalog Number:

AG0073NO

Molecular Formula:

C16H14N2OS2

Molecular Weight:

314.4252

Catalog Number:

AG0073NO

Chemical Name:

2-MERCAPTO-3-PHENYL-5,6,7,8-TETRAHYDRO-3H-BENZO[4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE

CAS Number:

42076-13-1

Molecular Formula:

C16H14N2OS2

Molecular Weight:

314.4252

MDL Number:

MFCD00413462

IUPAC Name:

3-phenyl-2-sulfanylidene-5,6,7,8-tetrahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one

InChI:

InChI=1S/C16H14N2OS2/c19-15-13-11-8-4-5-9-12(11)21-14(13)17-16(20)18(15)10-6-2-1-3-7-10/h1-3,6-7H,4-5,8-9H2,(H,17,20)

InChI Key:

VVTUPMPBYOGHJF-UHFFFAOYSA-N

SMILES:

Sc1nc2sc3c(c2c(=O)n1c1ccccc1)CCCC3

Complexity:

450

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

314.055g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

314.421g/mol

Monoisotopic Mass:

314.055g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

92.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3: