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16024-87-6 | 4(1H)-Quinazolinone, 2,3-dihydro-3-(3-hydroxypropyl)-2-thioxo-
CAS No: 16024-87-6 Catalog No: AG001RSN MDL No:MFCD06358049
Product Description
Catalog Number:
AG001RSN
Chemical Name:
4(1H)-Quinazolinone, 2,3-dihydro-3-(3-hydroxypropyl)-2-thioxo-
CAS Number:
16024-87-6
Molecular Formula:
C11H12N2O2S
Molecular Weight:
236.2902
MDL Number:
MFCD06358049
IUPAC Name:
3-(3-hydroxypropyl)-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C11H12N2O2S/c14-7-3-6-13-10(15)8-4-1-2-5-9(8)12-11(13)16/h1-2,4-5,14H,3,6-7H2,(H,12,16)
InChI Key:
QGSCELNVXTZYSJ-UHFFFAOYSA-N
SMILES:
OCCCn1c(=S)[nH]c2c(c1=O)cccc2
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.062g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
236.289g/mol
Monoisotopic Mass:
236.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.9
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