5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole

C14H9ClN2S2 — CID 3828921

IUPAC5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole
SMILESClc1ccc(Sc2snnc2-c2ccccc2)cc1
InChIInChI=1S/C14H9ClN2S2/c15-11-6-8-12(9-7-11)18-14-13(16-17-19-14)10-4-2-1-3-5-10/h1-9H
InChIKeyOJHCSXTYSZBDPY-UHFFFAOYSA-N
MW304.83 g/mol
LogP5.01
Rot. Bonds3

About 5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole

5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole (PubChem CID 3828921) has the molecular formula C14H9ClN2S2 and a molecular weight of 304.83 g/mol. Its IUPAC name is 5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole
PubChem CID3828921
Molecular FormulaC14H9ClN2S2
Molecular Weight304.83 g/mol
Exact Mass303.99
IUPAC Name5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole
SMILESClc1ccc(Sc2snnc2-c2ccccc2)cc1
InChIInChI=1S/C14H9ClN2S2/c15-11-6-8-12(9-7-11)18-14-13(16-17-19-14)10-4-2-1-3-5-10/h1-9H
InChIKeyOJHCSXTYSZBDPY-UHFFFAOYSA-N
XLogP5.01
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.83
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole?
The IUPAC name of 5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole (CID 3828921) is 5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole?
The canonical SMILES for 5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole is Clc1ccc(Sc2snnc2-c2ccccc2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole?
The InChIKey is OJHCSXTYSZBDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN2S2/c15-11-6-8-12(9-7-11)18-14-13(16-17-19-14)10-4-2-1-3-5-10/h1-9H.
What are the key properties of 5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole?
5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole has a molecular weight of 304.83 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)sulfanyl-4-phenylthiadiazole is sourced from PubChem (CID 3828921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).