2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole

C9H6Cl2N2OS — CID 742487

IUPAC2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C9H6Cl2N2OS/c1-15-9-13-12-8(14-9)6-3-2-5(10)4-7(6)11/h2-4H,1H3
InChIKeyDSKJKVZWTPIOKN-UHFFFAOYSA-N
MW261.13 g/mol
LogP3.77
Rot. Bonds2

About 2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole

2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole (PubChem CID 742487) has the molecular formula C9H6Cl2N2OS and a molecular weight of 261.13 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
PubChem CID742487
Molecular FormulaC9H6Cl2N2OS
Molecular Weight261.13 g/mol
Exact Mass259.96
IUPAC Name2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole
SMILESCSc1nnc(-c2ccc(Cl)cc2Cl)o1
InChIInChI=1S/C9H6Cl2N2OS/c1-15-9-13-12-8(14-9)6-3-2-5(10)4-7(6)11/h2-4H,1H3
InChIKeyDSKJKVZWTPIOKN-UHFFFAOYSA-N
XLogP3.77
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.13
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
The IUPAC name of 2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole (CID 742487) is 2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole is CSc1nnc(-c2ccc(Cl)cc2Cl)o1.
What is the InChIKey of 2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
The InChIKey is DSKJKVZWTPIOKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N2OS/c1-15-9-13-12-8(14-9)6-3-2-5(10)4-7(6)11/h2-4H,1H3.
What are the key properties of 2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole?
2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole has a molecular weight of 261.13 g/mol, XLogP of 3.77, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-5-methylsulfanyl-1,3,4-oxadiazole is sourced from PubChem (CID 742487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).