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

C9H7ClN2S2 — CID 23086909

IUPAC5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nsc(-c2ccccc2Cl)n1
InChIInChI=1S/C9H7ClN2S2/c1-13-9-11-8(14-12-9)6-4-2-3-5-7(6)10/h2-5H,1H3
InChIKeyCAXNYARPHNRQEM-UHFFFAOYSA-N
MW242.76 g/mol
LogP3.58
Rot. Bonds2

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

5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole (PubChem CID 23086909) has the molecular formula C9H7ClN2S2 and a molecular weight of 242.76 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole
PubChem CID23086909
Molecular FormulaC9H7ClN2S2
Molecular Weight242.76 g/mol
Exact Mass241.97
IUPAC Name5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole
SMILESCSc1nsc(-c2ccccc2Cl)n1
InChIInChI=1S/C9H7ClN2S2/c1-13-9-11-8(14-12-9)6-4-2-3-5-7(6)10/h2-5H,1H3
InChIKeyCAXNYARPHNRQEM-UHFFFAOYSA-N
XLogP3.58
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.76
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole (CID 23086909) is 5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole is CSc1nsc(-c2ccccc2Cl)n1.
What is the InChIKey of 5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole?
The InChIKey is CAXNYARPHNRQEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClN2S2/c1-13-9-11-8(14-12-9)6-4-2-3-5-7(6)10/h2-5H,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole?
5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole has a molecular weight of 242.76 g/mol, XLogP of 3.58, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-methylsulfanyl-1,2,4-thiadiazole is sourced from PubChem (CID 23086909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).