5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole

C10H9ClN2S3 — CID 1266364

IUPAC5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nsc(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H9ClN2S3/c1-14-9-12-10(16-13-9)15-6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
InChIKeyKOWWDPGCWGJLRH-UHFFFAOYSA-N
MW288.85 g/mol
LogP4.21
Rot. Bonds4

About 5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole

5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole (PubChem CID 1266364) has the molecular formula C10H9ClN2S3 and a molecular weight of 288.85 g/mol. Its IUPAC name is 5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole
PubChem CID1266364
Molecular FormulaC10H9ClN2S3
Molecular Weight288.85 g/mol
Exact Mass287.96
IUPAC Name5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nsc(SCc2ccc(Cl)cc2)n1
InChIInChI=1S/C10H9ClN2S3/c1-14-9-12-10(16-13-9)15-6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3
InChIKeyKOWWDPGCWGJLRH-UHFFFAOYSA-N
XLogP4.21
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.85
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole (CID 1266364) is 5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole is CSc1nsc(SCc2ccc(Cl)cc2)n1.
What is the InChIKey of 5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole?
The InChIKey is KOWWDPGCWGJLRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S3/c1-14-9-12-10(16-13-9)15-6-7-2-4-8(11)5-3-7/h2-5H,6H2,1H3.
What are the key properties of 5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole?
5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole has a molecular weight of 288.85 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-chlorophenyl)methylsulfanyl]-3-methylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 1266364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).