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6956-61-2 | Quinazoline,4-(butylthio)-
CAS No: 6956-61-2 Catalog No: AG005KSE MDL No:
Product Description
Catalog Number:
AG005KSE
Chemical Name:
Quinazoline,4-(butylthio)-
CAS Number:
6956-61-2
Molecular Formula:
C12H14N2S
Molecular Weight:
218.3180
IUPAC Name:
4-butylsulfanylquinazoline
InChI:
InChI=1S/C12H14N2S/c1-2-3-8-15-12-10-6-4-5-7-11(10)13-9-14-12/h4-7,9H,2-3,8H2,1H3
InChI Key:
PIBVCPOZVCQALQ-UHFFFAOYSA-N
SMILES:
CCCCSc1ncnc2c1cccc2
NSC Number:
65058
Properties
Complexity:
187
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.088g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
218.318g/mol
Monoisotopic Mass:
218.088g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
51.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
Literature
| Title | Journal |
|---|---|
| Quinazoline derivatives with antitubercular activity. | Farmaco (Societa chimica italiana : 1989) 20000101 |
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