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69729-69-7 | 4(1H)-Quinazolinethione, 2-propyl-
CAS No: 69729-69-7 Catalog No: AG005IDM MDL No:
Product Description
Catalog Number:
AG005IDM
Chemical Name:
4(1H)-Quinazolinethione, 2-propyl-
CAS Number:
69729-69-7
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
IUPAC Name:
2-propyl-1H-quinazoline-4-thione
InChI:
InChI=1S/C11H12N2S/c1-2-5-10-12-9-7-4-3-6-8(9)11(14)13-10/h3-4,6-7H,2,5H2,1H3,(H,12,13,14)
InChI Key:
NLDQGEZFOMVCOH-UHFFFAOYSA-N
SMILES:
CCCc1nc(=S)c2c([nH]1)cccc2
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
Literature
| Title | Journal |
|---|---|
| Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. | Bioorganic & medicinal chemistry letters 20101101 |
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