Name: Name:Ethyl 4-oxo-3,4-dihydrothieno[3,2-d]pyriMidine-2-carboxylate
Brand: Angene
SKU: AG00CM51
Rating: 90 (10 reviews)

Ethyl 4-oxo-3,4-dihydrothieno[3,2-d]pyriMidine-2-carboxylate

CAS No.:

319442-19-8

Catalog Number:

AG00CM51

Molecular Formula:

C9H8N2O3S

Molecular Weight:

224.2364

Catalog Number:

AG00CM51

Chemical Name:

Ethyl 4-oxo-3,4-dihydrothieno[3,2-d]pyriMidine-2-carboxylate

CAS Number:

319442-19-8

Molecular Formula:

C9H8N2O3S

Molecular Weight:

224.2364

MDL Number:

MFCD21608026

IUPAC Name:

ethyl 4-oxo-3H-thieno[3,2-d]pyrimidine-2-carboxylate

InChI:

InChI=1S/C9H8N2O3S/c1-2-14-9(13)7-10-5-3-4-15-6(5)8(12)11-7/h3-4H,2H2,1H3,(H,10,11,12)

InChI Key:

MZMHHCYVZKHGQJ-UHFFFAOYSA-N

SMILES:

CCOC(=O)c1nc2ccsc2c(=O)[nH]1

Complexity:

329

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

224.026g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

224.234g/mol

Monoisotopic Mass:

224.026g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

96A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.4