1-(2-methylsulfanylethyl)tetrazole

C4H8N4S — CID 156641910

IUPAC1-(2-methylsulfanylethyl)tetrazole
SMILESCSCCn1cnnn1
InChIInChI=1S/C4H8N4S/c1-9-3-2-8-4-5-6-7-8/h4H,2-3H2,1H3
InChIKeyCGTFOYURQHVCSN-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.04
Rot. Bonds3

About 1-(2-methylsulfanylethyl)tetrazole

1-(2-methylsulfanylethyl)tetrazole (PubChem CID 156641910) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-(2-methylsulfanylethyl)tetrazole.

Molecular Properties

Compound Name1-(2-methylsulfanylethyl)tetrazole
PubChem CID156641910
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name1-(2-methylsulfanylethyl)tetrazole
SMILESCSCCn1cnnn1
InChIInChI=1S/C4H8N4S/c1-9-3-2-8-4-5-6-7-8/h4H,2-3H2,1H3
InChIKeyCGTFOYURQHVCSN-UHFFFAOYSA-N
XLogP0.04
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanylethyl)tetrazole?
The IUPAC name of 1-(2-methylsulfanylethyl)tetrazole (CID 156641910) is 1-(2-methylsulfanylethyl)tetrazole.
What is the SMILES notation for 1-(2-methylsulfanylethyl)tetrazole?
The canonical SMILES for 1-(2-methylsulfanylethyl)tetrazole is CSCCn1cnnn1.
What is the InChIKey of 1-(2-methylsulfanylethyl)tetrazole?
The InChIKey is CGTFOYURQHVCSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c1-9-3-2-8-4-5-6-7-8/h4H,2-3H2,1H3.
What are the key properties of 1-(2-methylsulfanylethyl)tetrazole?
1-(2-methylsulfanylethyl)tetrazole has a molecular weight of 144.20 g/mol, XLogP of 0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanylethyl)tetrazole is sourced from PubChem (CID 156641910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).