5-(ethylsulfanylmethyl)-1-methyltriazole

C6H11N3S — CID 90717685

IUPAC5-(ethylsulfanylmethyl)-1-methyltriazole
SMILESCCSCc1cnnn1C
InChIInChI=1S/C6H11N3S/c1-3-10-5-6-4-7-8-9(6)2/h4H,3,5H2,1-2H3
InChIKeyWTFJXARELVWRAW-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.07
Rot. Bonds3

About 5-(ethylsulfanylmethyl)-1-methyltriazole

5-(ethylsulfanylmethyl)-1-methyltriazole (PubChem CID 90717685) has the molecular formula C6H11N3S and a molecular weight of 157.24 g/mol. Its IUPAC name is 5-(ethylsulfanylmethyl)-1-methyltriazole.

Molecular Properties

Compound Name5-(ethylsulfanylmethyl)-1-methyltriazole
PubChem CID90717685
Molecular FormulaC6H11N3S
Molecular Weight157.24 g/mol
Exact Mass157.07
IUPAC Name5-(ethylsulfanylmethyl)-1-methyltriazole
SMILESCCSCc1cnnn1C
InChIInChI=1S/C6H11N3S/c1-3-10-5-6-4-7-8-9(6)2/h4H,3,5H2,1-2H3
InChIKeyWTFJXARELVWRAW-UHFFFAOYSA-N
XLogP1.07
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(ethylsulfanylmethyl)-1-methyltriazole?
The IUPAC name of 5-(ethylsulfanylmethyl)-1-methyltriazole (CID 90717685) is 5-(ethylsulfanylmethyl)-1-methyltriazole.
What is the SMILES notation for 5-(ethylsulfanylmethyl)-1-methyltriazole?
The canonical SMILES for 5-(ethylsulfanylmethyl)-1-methyltriazole is CCSCc1cnnn1C.
What is the InChIKey of 5-(ethylsulfanylmethyl)-1-methyltriazole?
The InChIKey is WTFJXARELVWRAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3S/c1-3-10-5-6-4-7-8-9(6)2/h4H,3,5H2,1-2H3.
What are the key properties of 5-(ethylsulfanylmethyl)-1-methyltriazole?
5-(ethylsulfanylmethyl)-1-methyltriazole has a molecular weight of 157.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(ethylsulfanylmethyl)-1-methyltriazole is sourced from PubChem (CID 90717685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).