5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole

C15H11ClN2S2 — CID 3588754

IUPAC5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole
SMILESClc1ccccc1CSc1snnc1-c1ccccc1
InChIInChI=1S/C15H11ClN2S2/c16-13-9-5-4-8-12(13)10-19-15-14(17-18-20-15)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeySFRSVPDRVFQAAN-UHFFFAOYSA-N
MW318.85 g/mol
LogP5.15
Rot. Bonds4

About 5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole

5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole (PubChem CID 3588754) has the molecular formula C15H11ClN2S2 and a molecular weight of 318.85 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole
PubChem CID3588754
Molecular FormulaC15H11ClN2S2
Molecular Weight318.85 g/mol
Exact Mass318.01
IUPAC Name5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole
SMILESClc1ccccc1CSc1snnc1-c1ccccc1
InChIInChI=1S/C15H11ClN2S2/c16-13-9-5-4-8-12(13)10-19-15-14(17-18-20-15)11-6-2-1-3-7-11/h1-9H,10H2
InChIKeySFRSVPDRVFQAAN-UHFFFAOYSA-N
XLogP5.15
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.85
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole?
The IUPAC name of 5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole (CID 3588754) is 5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole.
What is the SMILES notation for 5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole?
The canonical SMILES for 5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole is Clc1ccccc1CSc1snnc1-c1ccccc1.
What is the InChIKey of 5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole?
The InChIKey is SFRSVPDRVFQAAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2S2/c16-13-9-5-4-8-12(13)10-19-15-14(17-18-20-15)11-6-2-1-3-7-11/h1-9H,10H2.
What are the key properties of 5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole?
5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole has a molecular weight of 318.85 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methylsulfanyl]-4-phenylthiadiazole is sourced from PubChem (CID 3588754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).