Name: Name:6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one
Brand: Angene
SKU: AG00ICCQ
Rating: 90 (10 reviews)

6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS No.:

730976-52-0

Catalog Number:

AG00ICCQ

Molecular Formula:

C10H9ClN2O2S

Molecular Weight:

256.7087

Catalog Number:

AG00ICCQ

Chemical Name:

6-acetyl-2-(chloromethyl)-5-methyl-3H,4H-thieno[2,3-d]pyrimidin-4-one

CAS Number:

730976-52-0

Molecular Formula:

C10H9ClN2O2S

Molecular Weight:

256.7087

MDL Number:

MFCD04623505

IUPAC Name:

6-acetyl-2-(chloromethyl)-5-methyl-3H-thieno[2,3-d]pyrimidin-4-one

InChI:

InChI=1S/C10H9ClN2O2S/c1-4-7-9(15)12-6(3-11)13-10(7)16-8(4)5(2)14/h3H2,1-2H3,(H,12,13,15)

InChI Key:

OWNMQNDBYWKYQC-UHFFFAOYSA-N

SMILES:

ClCc1nc2sc(c(c2c(=O)[nH]1)C)C(=O)C

Complexity:

372

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

256.007g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

256.704g/mol

Monoisotopic Mass:

256.007g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.7