Name: Name:4(1H)-Quinazolinone, 2,3-dihydro-3-(2-hydroxyethyl)-2-thioxo-
Brand: Angene
SKU: AG001RSP
Rating: 90 (10 reviews)

4(1H)-Quinazolinone, 2,3-dihydro-3-(2-hydroxyethyl)-2-thioxo-

CAS No.:

16024-85-4

Catalog Number:

AG001RSP

Molecular Formula:

C10H10N2O2S

Molecular Weight:

222.2636

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Purity

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Product Description

Catalog Number:

AG001RSP

Chemical Name:

4(1H)-Quinazolinone, 2,3-dihydro-3-(2-hydroxyethyl)-2-thioxo-

CAS Number:

16024-85-4

Molecular Formula:

C10H10N2O2S

Molecular Weight:

222.2636

MDL Number:

MFCD04218061

IUPAC Name:

3-(2-hydroxyethyl)-2-sulfanylidene-1H-quinazolin-4-one

InChI:

InChI=1S/C10H10N2O2S/c13-6-5-12-9(14)7-3-1-2-4-8(7)11-10(12)15/h1-4,13H,5-6H2,(H,11,15)

InChI Key:

IHCXUWLMVZCHML-UHFFFAOYSA-N

SMILES:

OCCn1c(=S)[nH]c2c(c1=O)cccc2

Properties

Complexity:

283

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.262g/mol

Monoisotopic Mass:

222.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.5

Literature

Title	Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.	Bioorganic & medicinal chemistry letters 20101101

Properties