3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole

C10H10ClN3S — CID 3088012

IUPAC3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
SMILESCSc1nnc(-c2ccccc2Cl)n1C
InChIInChI=1S/C10H10ClN3S/c1-14-9(12-13-10(14)15-2)7-5-3-4-6-8(7)11/h3-6H,1-2H3
InChIKeyHIYWYLKCJFGGSX-UHFFFAOYSA-N
MW239.73 g/mol
LogP2.86
Rot. Bonds2

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

3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole (PubChem CID 3088012) has the molecular formula C10H10ClN3S and a molecular weight of 239.73 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
PubChem CID3088012
Molecular FormulaC10H10ClN3S
Molecular Weight239.73 g/mol
Exact Mass239.03
IUPAC Name3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole
SMILESCSc1nnc(-c2ccccc2Cl)n1C
InChIInChI=1S/C10H10ClN3S/c1-14-9(12-13-10(14)15-2)7-5-3-4-6-8(7)11/h3-6H,1-2H3
InChIKeyHIYWYLKCJFGGSX-UHFFFAOYSA-N
XLogP2.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.73
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Chlorophenyl)-5-(methylthio)-4H-1,2,4-triazole
CID 449127
4-Methyl-3-methylsulfonyl-5-phenyl-4H-1,2,4-triazole
CID 164013
1H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-phenyl-
CID 213226
3-(4-chlorophenyl)-N,N-dimethyl-5-(methylthio)-1H-1,2,4-triazole-1-carboxamide
CID 2743222
3-(2-chlorophenyl)-6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepine
CID 747958
3-(4-Chlorophenyl)-4-methyl-5-(methylthio)-4H-1,2,4-triazole
CID 3044469
5-(3-Chlorophenyl)-3-(2-methylprop-2-enylthio)-1,2,4-triazole-4-ylamine
CID 663129
3-(4-chlorophenyl)-1-(ethylsulfonyl)-5-(methylthio)-1H-1,2,4-triazole
CID 828742
Sodium 4-benzyl-5-(4-chlorophenyl)-1,2,4-triazole-3-thiolate
CID 23697615
3-(4-Chloro-benzylsulfanyl)-4-ethyl-5-phenyl-4H-[1,2,4]triazole
CID 804932
3-Butylsulfanyl-4-methyl-5-p-tolyl-4H-[1,2,4]triazole
CID 3167975
3-(4-chlorophenyl)-5-(ethylthio)-N,N-dimethyl-1H-1,2,4-triazole-1-carboxamide
CID 11278342

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole?
The IUPAC name of 3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole (CID 3088012) is 3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole.
What is the SMILES notation for 3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole?
The canonical SMILES for 3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole is CSc1nnc(-c2ccccc2Cl)n1C.
What is the InChIKey of 3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole?
The InChIKey is HIYWYLKCJFGGSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3S/c1-14-9(12-13-10(14)15-2)7-5-3-4-6-8(7)11/h3-6H,1-2H3.
What are the key properties of 3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole?
3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole has a molecular weight of 239.73 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4-methyl-5-methylsulfanyl-1,2,4-triazole is sourced from PubChem (CID 3088012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).