4-ethylsulfanyl-1-methyltriazole

C5H9N3S — CID 54320615

IUPAC4-ethylsulfanyl-1-methyltriazole
SMILESCCSc1cn(C)nn1
InChIInChI=1S/C5H9N3S/c1-3-9-5-4-8(2)7-6-5/h4H,3H2,1-2H3
InChIKeyRFRWKRNTXGHWNY-UHFFFAOYSA-N
MW143.21 g/mol
LogP0.93
Rot. Bonds2

About 4-ethylsulfanyl-1-methyltriazole

4-ethylsulfanyl-1-methyltriazole (PubChem CID 54320615) has the molecular formula C5H9N3S and a molecular weight of 143.21 g/mol. Its IUPAC name is 4-ethylsulfanyl-1-methyltriazole.

Molecular Properties

Compound Name4-ethylsulfanyl-1-methyltriazole
PubChem CID54320615
Molecular FormulaC5H9N3S
Molecular Weight143.21 g/mol
Exact Mass143.05
IUPAC Name4-ethylsulfanyl-1-methyltriazole
SMILESCCSc1cn(C)nn1
InChIInChI=1S/C5H9N3S/c1-3-9-5-4-8(2)7-6-5/h4H,3H2,1-2H3
InChIKeyRFRWKRNTXGHWNY-UHFFFAOYSA-N
XLogP0.93
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 ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1H-1,2,3-Triazole, 1-methyl-5-methylthio-
CID 141989
5-Ethylsulfanyl-1-methyltriazole
CID 12502187
1-Butyl-5-methylsulfanyltriazole
CID 21395392
1-Ethyl-5-methylsulfanyltriazole
CID 21395422
1H-1,2,3-Triazole, 1-methyl-4-methylthio-
CID 142109
1-Ethyl-5-ethylsulfanyltriazole
CID 12502188
5-Methylsulfanyl-1-prop-2-enyltriazole
CID 12502189
5-Ethylsulfanyl-1-prop-2-enyltriazole
CID 12502190
5,6-Dihydro[1,3]thiazolo[3,2-c][1,2,3]triazole
CID 154724305
1H-1,2,3-Triazolium, 4-mercapto-1,3-dimethyl-, hydroxide, inner salt
CID 141908
4-Acetylthiomethylthio-1-methyl-1,2,3-triazole
CID 10081606
4-Acetylthiomethylthio-3-methyl-1,2,3-triazole
CID 10420433

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1-methyltriazole?
The IUPAC name of 4-ethylsulfanyl-1-methyltriazole (CID 54320615) is 4-ethylsulfanyl-1-methyltriazole.
What is the SMILES notation for 4-ethylsulfanyl-1-methyltriazole?
The canonical SMILES for 4-ethylsulfanyl-1-methyltriazole is CCSc1cn(C)nn1.
What is the InChIKey of 4-ethylsulfanyl-1-methyltriazole?
The InChIKey is RFRWKRNTXGHWNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3S/c1-3-9-5-4-8(2)7-6-5/h4H,3H2,1-2H3.
What are the key properties of 4-ethylsulfanyl-1-methyltriazole?
4-ethylsulfanyl-1-methyltriazole has a molecular weight of 143.21 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1-methyltriazole is sourced from PubChem (CID 54320615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).