4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole

C15H11ClN2S2 — CID 3582352

IUPAC4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole
SMILESCc1ccc(Sc2snnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H11ClN2S2/c1-10-2-8-13(9-3-10)19-15-14(17-18-20-15)11-4-6-12(16)7-5-11/h2-9H,1H3
InChIKeyFITHLHMMMJOGSN-UHFFFAOYSA-N
MW318.85 g/mol
LogP5.32
Rot. Bonds3

About 4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole

4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole (PubChem CID 3582352) has the molecular formula C15H11ClN2S2 and a molecular weight of 318.85 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole
PubChem CID3582352
Molecular FormulaC15H11ClN2S2
Molecular Weight318.85 g/mol
Exact Mass318.01
IUPAC Name4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole
SMILESCc1ccc(Sc2snnc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H11ClN2S2/c1-10-2-8-13(9-3-10)19-15-14(17-18-20-15)11-4-6-12(16)7-5-11/h2-9H,1H3
InChIKeyFITHLHMMMJOGSN-UHFFFAOYSA-N
XLogP5.32
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 ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole?
The IUPAC name of 4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole (CID 3582352) is 4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole?
The canonical SMILES for 4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole is Cc1ccc(Sc2snnc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole?
The InChIKey is FITHLHMMMJOGSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S2/c1-10-2-8-13(9-3-10)19-15-14(17-18-20-15)11-4-6-12(16)7-5-11/h2-9H,1H3.
What are the key properties of 4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole?
4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole has a molecular weight of 318.85 g/mol, XLogP of 5.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(4-methylphenyl)sulfanylthiadiazole is sourced from PubChem (CID 3582352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).