Name: Name:3-(1-hydroxybutan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one
Brand: Angene
SKU: AG019II4
Rating: 90 (10 reviews)

3-(1-hydroxybutan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

CAS No.:

179041-13-5

Catalog Number:

AG019II4

Molecular Formula:

C12H14N2O2S

Molecular Weight:

250.3168

Catalog Number:

AG019II4

Chemical Name:

3-(1-hydroxybutan-2-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-one

CAS Number:

179041-13-5

Molecular Formula:

C12H14N2O2S

Molecular Weight:

250.3168

MDL Number:

MFCD04608659

IUPAC Name:

3-(1-hydroxybutan-2-yl)-2-sulfanylidene-1H-quinazolin-4-one

InChI:

InChI=1S/C12H14N2O2S/c1-2-8(7-15)14-11(16)9-5-3-4-6-10(9)13-12(14)17/h3-6,8,15H,2,7H2,1H3,(H,13,17)

InChI Key:

AOBVXRZVXJMGGN-UHFFFAOYSA-N

SMILES:

CCC(n1c(S)nc2c(c1=O)cccc2)CO

Complexity:

322

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

250.078g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

250.316g/mol

Monoisotopic Mass:

250.078g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

84.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.5