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138892-94-1 | 4(1H)-Quinazolinone, 2,3-dihydro-3-(4-hydroxybutyl)-2-thioxo-
CAS No: 138892-94-1 Catalog No: AG0019RW MDL No:
Product Description
Catalog Number:
AG0019RW
Chemical Name:
4(1H)-Quinazolinone, 2,3-dihydro-3-(4-hydroxybutyl)-2-thioxo-
CAS Number:
138892-94-1
Molecular Formula:
C12H14N2O2S
Molecular Weight:
250.3168
IUPAC Name:
3-(4-hydroxybutyl)-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C12H14N2O2S/c15-8-4-3-7-14-11(16)9-5-1-2-6-10(9)13-12(14)17/h1-2,5-6,15H,3-4,7-8H2,(H,13,17)
InChI Key:
LEOZPQPJIGGPCL-UHFFFAOYSA-N
SMILES:
OCCCCn1c(=S)[nH]c2c(c1=O)cccc2
Properties
Complexity:
309
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
250.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
250.316g/mol
Monoisotopic Mass:
250.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
84.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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