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13906-07-5 | 4(1H)-Quinazolinone, 3-butyl-2,3-dihydro-2-thioxo-
CAS No: 13906-07-5 Catalog No: AG001A3U MDL No:MFCD03154354
Product Description
Catalog Number:
AG001A3U
Chemical Name:
4(1H)-Quinazolinone, 3-butyl-2,3-dihydro-2-thioxo-
CAS Number:
13906-07-5
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
MDL Number:
MFCD03154354
IUPAC Name:
3-butyl-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C12H14N2OS/c1-2-3-8-14-11(15)9-6-4-5-7-10(9)13-12(14)16/h4-7H,2-3,8H2,1H3,(H,13,16)
InChI Key:
YIMVQTWMNLKAPM-UHFFFAOYSA-N
SMILES:
CCCCn1c(=S)[nH]c2c(c1=O)cccc2
NSC Number:
164977
Properties
Complexity:
293
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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