4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline

C15H11ClN2S2 — CID 1479844

IUPAC4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline
SMILESCSc1nc(Sc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C15H11ClN2S2/c1-19-15-17-12-8-4-2-6-10(12)14(18-15)20-13-9-5-3-7-11(13)16/h2-9H,1H3
InChIKeyUVJWIKPDBVCGJM-UHFFFAOYSA-N
MW318.85 g/mol
LogP5.16
Rot. Bonds3

About 4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline

4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline (PubChem CID 1479844) has the molecular formula C15H11ClN2S2 and a molecular weight of 318.85 g/mol. Its IUPAC name is 4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline.

Molecular Properties

Compound Name4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline
PubChem CID1479844
Molecular FormulaC15H11ClN2S2
Molecular Weight318.85 g/mol
Exact Mass318.01
IUPAC Name4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline
SMILESCSc1nc(Sc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C15H11ClN2S2/c1-19-15-17-12-8-4-2-6-10(12)14(18-15)20-13-9-5-3-7-11(13)16/h2-9H,1H3
InChIKeyUVJWIKPDBVCGJM-UHFFFAOYSA-N
XLogP5.16
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.85
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline?
The IUPAC name of 4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline (CID 1479844) is 4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline.
What is the SMILES notation for 4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline?
The canonical SMILES for 4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline is CSc1nc(Sc2ccccc2Cl)c2ccccc2n1.
What is the InChIKey of 4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline?
The InChIKey is UVJWIKPDBVCGJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S2/c1-19-15-17-12-8-4-2-6-10(12)14(18-15)20-13-9-5-3-7-11(13)16/h2-9H,1H3.
What are the key properties of 4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline?
4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline has a molecular weight of 318.85 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chlorophenyl)sulfanyl-2-methylsulfanylquinazoline is sourced from PubChem (CID 1479844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).