Name: Name:7-chloro-3H,4H-thieno[3,4-d]pyrimidin-4-one
Brand: Angene
SKU: AG01AN3E
Rating: 90 (10 reviews)

7-chloro-3H,4H-thieno[3,4-d]pyrimidin-4-one

CAS No.:

53826-83-8

Catalog Number:

AG01AN3E

Molecular Formula:

C6H3ClN2OS

Molecular Weight:

186.6188

Catalog Number:

AG01AN3E

Chemical Name:

7-chloro-3H,4H-thieno[3,4-d]pyrimidin-4-one

CAS Number:

53826-83-8

Molecular Formula:

C6H3ClN2OS

Molecular Weight:

186.6188

MDL Number:

MFCD24571695

IUPAC Name:

7-chloro-3H-thieno[3,4-d]pyrimidin-4-one

InChI:

InChI=1S/C6H3ClN2OS/c7-5-4-3(1-11-5)6(10)9-2-8-4/h1-2H,(H,8,9,10)

InChI Key:

UHDYMZZBGLUPME-UHFFFAOYSA-N

SMILES:

Clc1scc2c1nc[nH]c2=O

Complexity:

221

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

185.965g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

186.613g/mol

Monoisotopic Mass:

185.965g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.3