2-methyl-4-(methylsulfanylmethyl)triazole

C5H9N3S — CID 130658803

IUPAC2-methyl-4-(methylsulfanylmethyl)triazole
SMILESCSCc1cnn(C)n1
InChIInChI=1S/C5H9N3S/c1-8-6-3-5(7-8)4-9-2/h3H,4H2,1-2H3
InChIKeyKYAILPUHWKFEET-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.68
Rot. Bonds2

About 2-methyl-4-(methylsulfanylmethyl)triazole

2-methyl-4-(methylsulfanylmethyl)triazole (PubChem CID 130658803) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is 2-methyl-4-(methylsulfanylmethyl)triazole.

Molecular Properties

Compound Name2-methyl-4-(methylsulfanylmethyl)triazole
PubChem CID130658803
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name2-methyl-4-(methylsulfanylmethyl)triazole
SMILESCSCc1cnn(C)n1
InChIInChI=1S/C5H9N3S/c1-8-6-3-5(7-8)4-9-2/h3H,4H2,1-2H3
InChIKeyKYAILPUHWKFEET-UHFFFAOYSA-N
XLogP0.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.21
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(methylsulfanylmethyl)triazole?
The IUPAC name of 2-methyl-4-(methylsulfanylmethyl)triazole (CID 130658803) is 2-methyl-4-(methylsulfanylmethyl)triazole.
What is the SMILES notation for 2-methyl-4-(methylsulfanylmethyl)triazole?
The canonical SMILES for 2-methyl-4-(methylsulfanylmethyl)triazole is CSCc1cnn(C)n1.
What is the InChIKey of 2-methyl-4-(methylsulfanylmethyl)triazole?
The InChIKey is KYAILPUHWKFEET-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-8-6-3-5(7-8)4-9-2/h3H,4H2,1-2H3.
What are the key properties of 2-methyl-4-(methylsulfanylmethyl)triazole?
2-methyl-4-(methylsulfanylmethyl)triazole has a molecular weight of 143.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(methylsulfanylmethyl)triazole is sourced from PubChem (CID 130658803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).