3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole

C10H9Cl2N3S — CID 760884

IUPAC3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2N3S/c1-15-6-13-14-10(15)16-5-7-2-3-8(11)4-9(7)12/h2-4,6H,5H2,1H3
InChIKeyVICNDOPMLGXFGE-UHFFFAOYSA-N
MW274.18 g/mol
LogP3.41
Rot. Bonds3

About 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole

3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole (PubChem CID 760884) has the molecular formula C10H9Cl2N3S and a molecular weight of 274.18 g/mol. Its IUPAC name is 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole.

Molecular Properties

Compound Name3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
PubChem CID760884
Molecular FormulaC10H9Cl2N3S
Molecular Weight274.18 g/mol
Exact Mass272.99
IUPAC Name3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole
SMILESCn1cnnc1SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2N3S/c1-15-6-13-14-10(15)16-5-7-2-3-8(11)4-9(7)12/h2-4,6H,5H2,1H3
InChIKeyVICNDOPMLGXFGE-UHFFFAOYSA-N
XLogP3.41
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.18
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole?
The IUPAC name of 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole (CID 760884) is 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole.
What is the SMILES notation for 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole?
The canonical SMILES for 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole is Cn1cnnc1SCc1ccc(Cl)cc1Cl.
What is the InChIKey of 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole?
The InChIKey is VICNDOPMLGXFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2N3S/c1-15-6-13-14-10(15)16-5-7-2-3-8(11)4-9(7)12/h2-4,6H,5H2,1H3.
What are the key properties of 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole?
3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole has a molecular weight of 274.18 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-methyl-1,2,4-triazole is sourced from PubChem (CID 760884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).