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6956-60-1 | 4(3H)-Quinazolinone,2-(butylthio)-
CAS No: 6956-60-1 Catalog No: AG005KSF MDL No:
Product Description
Catalog Number:
AG005KSF
Chemical Name:
4(3H)-Quinazolinone,2-(butylthio)-
CAS Number:
6956-60-1
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
IUPAC Name:
2-butylsulfanyl-3H-quinazolin-4-one
InChI:
InChI=1S/C12H14N2OS/c1-2-3-8-16-12-13-10-7-5-4-6-9(10)11(15)14-12/h4-7H,2-3,8H2,1H3,(H,13,14,15)
InChI Key:
CSRKFNCZGRRGHV-UHFFFAOYSA-N
SMILES:
CCCCSc1nc(=O)c2c([nH]1)cccc2
NSC Number:
65057
Properties
Complexity:
291
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:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
66.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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