Home Halogens 4(1H)-Quinazolinone,3-(4-chlorophenyl)-2,3-dihydro-2-thioxo-

4(1H)-Quinazolinone,3-(4-chlorophenyl)-2,3-dihydro-2-thioxo-

CAS No.:
1028-40-6
Catalog Number:
AG007J45
Molecular Formula:
C14H9ClN2OS
Molecular Weight:
288.7521
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Product Description
Catalog Number:
AG007J45
Chemical Name:
4(1H)-Quinazolinone,3-(4-chlorophenyl)-2,3-dihydro-2-thioxo-
CAS Number:
1028-40-6
Molecular Formula:
C14H9ClN2OS
Molecular Weight:
288.7521
MDL Number:
MFCD02625653
IUPAC Name:
3-(4-chlorophenyl)-2-sulfanylidene-1H-quinazolin-4-one
InChI:
InChI=1S/C14H9ClN2OS/c15-9-5-7-10(8-6-9)17-13(18)11-3-1-2-4-12(11)16-14(17)19/h1-8H,(H,16,19)
InChI Key:
FSBMFWYJFRHAIW-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)n1c(S)nc2c(c1=O)cccc2
NSC Number:
209932
Properties
Complexity:
382  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.012g/mol
Formal Charge:
0
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
288.749g/mol
Monoisotopic Mass:
288.012g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.4  
Properties