1-(4-chlorophenyl)quinazoline-4-thione

C14H9ClN2S — CID 13402148

IUPAC1-(4-chlorophenyl)quinazoline-4-thione
SMILESS=c1ncn(-c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C14H9ClN2S/c15-10-5-7-11(8-6-10)17-9-16-14(18)12-3-1-2-4-13(12)17/h1-9H
InChIKeyHRVJNVFUHKRLTF-UHFFFAOYSA-N
MW272.76 g/mol
LogP4.41
Rot. Bonds1

About 1-(4-chlorophenyl)quinazoline-4-thione

1-(4-chlorophenyl)quinazoline-4-thione (PubChem CID 13402148) has the molecular formula C14H9ClN2S and a molecular weight of 272.76 g/mol. Its IUPAC name is 1-(4-chlorophenyl)quinazoline-4-thione.

Molecular Properties

Compound Name1-(4-chlorophenyl)quinazoline-4-thione
PubChem CID13402148
Molecular FormulaC14H9ClN2S
Molecular Weight272.76 g/mol
Exact Mass272.02
IUPAC Name1-(4-chlorophenyl)quinazoline-4-thione
SMILESS=c1ncn(-c2ccc(Cl)cc2)c2ccccc12
InChIInChI=1S/C14H9ClN2S/c15-10-5-7-11(8-6-10)17-9-16-14(18)12-3-1-2-4-13(12)17/h1-9H
InChIKeyHRVJNVFUHKRLTF-UHFFFAOYSA-N
XLogP4.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.76
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)quinazoline-4-thione?
The IUPAC name of 1-(4-chlorophenyl)quinazoline-4-thione (CID 13402148) is 1-(4-chlorophenyl)quinazoline-4-thione.
What is the SMILES notation for 1-(4-chlorophenyl)quinazoline-4-thione?
The canonical SMILES for 1-(4-chlorophenyl)quinazoline-4-thione is S=c1ncn(-c2ccc(Cl)cc2)c2ccccc12.
What is the InChIKey of 1-(4-chlorophenyl)quinazoline-4-thione?
The InChIKey is HRVJNVFUHKRLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2S/c15-10-5-7-11(8-6-10)17-9-16-14(18)12-3-1-2-4-13(12)17/h1-9H.
What are the key properties of 1-(4-chlorophenyl)quinazoline-4-thione?
1-(4-chlorophenyl)quinazoline-4-thione has a molecular weight of 272.76 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)quinazoline-4-thione is sourced from PubChem (CID 13402148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).