5-phenyl-4-phenylsulfanylthiadiazole

C14H10N2S2 — CID 14878529

IUPAC5-phenyl-4-phenylsulfanylthiadiazole
SMILESc1ccc(Sc2nnsc2-c2ccccc2)cc1
InChIInChI=1S/C14H10N2S2/c1-3-7-11(8-4-1)13-14(15-16-18-13)17-12-9-5-2-6-10-12/h1-10H
InChIKeyHWUPWYXPTJGSHA-UHFFFAOYSA-N
MW270.38 g/mol
LogP4.36
Rot. Bonds3

About 5-phenyl-4-phenylsulfanylthiadiazole

5-phenyl-4-phenylsulfanylthiadiazole (PubChem CID 14878529) has the molecular formula C14H10N2S2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 5-phenyl-4-phenylsulfanylthiadiazole.

Molecular Properties

Compound Name5-phenyl-4-phenylsulfanylthiadiazole
PubChem CID14878529
Molecular FormulaC14H10N2S2
Molecular Weight270.38 g/mol
Exact Mass270.03
IUPAC Name5-phenyl-4-phenylsulfanylthiadiazole
SMILESc1ccc(Sc2nnsc2-c2ccccc2)cc1
InChIInChI=1S/C14H10N2S2/c1-3-7-11(8-4-1)13-14(15-16-18-13)17-12-9-5-2-6-10-12/h1-10H
InChIKeyHWUPWYXPTJGSHA-UHFFFAOYSA-N
XLogP4.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-4-phenylsulfanylthiadiazole?
The IUPAC name of 5-phenyl-4-phenylsulfanylthiadiazole (CID 14878529) is 5-phenyl-4-phenylsulfanylthiadiazole.
What is the SMILES notation for 5-phenyl-4-phenylsulfanylthiadiazole?
The canonical SMILES for 5-phenyl-4-phenylsulfanylthiadiazole is c1ccc(Sc2nnsc2-c2ccccc2)cc1.
What is the InChIKey of 5-phenyl-4-phenylsulfanylthiadiazole?
The InChIKey is HWUPWYXPTJGSHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S2/c1-3-7-11(8-4-1)13-14(15-16-18-13)17-12-9-5-2-6-10-12/h1-10H.
What are the key properties of 5-phenyl-4-phenylsulfanylthiadiazole?
5-phenyl-4-phenylsulfanylthiadiazole has a molecular weight of 270.38 g/mol, XLogP of 4.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-4-phenylsulfanylthiadiazole is sourced from PubChem (CID 14878529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).