1-methyl-5-(methylsulfanylmethyl)tetrazole

C4H8N4S — CID 18985597

IUPAC1-methyl-5-(methylsulfanylmethyl)tetrazole
SMILESCSCc1nnnn1C
InChIInChI=1S/C4H8N4S/c1-8-4(3-9-2)5-6-7-8/h3H2,1-2H3
InChIKeyFIMMQIBAHJGQAJ-UHFFFAOYSA-N
MW144.20 g/mol
LogP0.07
Rot. Bonds2

About 1-methyl-5-(methylsulfanylmethyl)tetrazole

1-methyl-5-(methylsulfanylmethyl)tetrazole (PubChem CID 18985597) has the molecular formula C4H8N4S and a molecular weight of 144.20 g/mol. Its IUPAC name is 1-methyl-5-(methylsulfanylmethyl)tetrazole.

Molecular Properties

Compound Name1-methyl-5-(methylsulfanylmethyl)tetrazole
PubChem CID18985597
Molecular FormulaC4H8N4S
Molecular Weight144.20 g/mol
Exact Mass144.05
IUPAC Name1-methyl-5-(methylsulfanylmethyl)tetrazole
SMILESCSCc1nnnn1C
InChIInChI=1S/C4H8N4S/c1-8-4(3-9-2)5-6-7-8/h3H2,1-2H3
InChIKeyFIMMQIBAHJGQAJ-UHFFFAOYSA-N
XLogP0.07
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.20
LogP ≤ 50.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(methylsulfanylmethyl)tetrazole?
The IUPAC name of 1-methyl-5-(methylsulfanylmethyl)tetrazole (CID 18985597) is 1-methyl-5-(methylsulfanylmethyl)tetrazole.
What is the SMILES notation for 1-methyl-5-(methylsulfanylmethyl)tetrazole?
The canonical SMILES for 1-methyl-5-(methylsulfanylmethyl)tetrazole is CSCc1nnnn1C.
What is the InChIKey of 1-methyl-5-(methylsulfanylmethyl)tetrazole?
The InChIKey is FIMMQIBAHJGQAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4S/c1-8-4(3-9-2)5-6-7-8/h3H2,1-2H3.
What are the key properties of 1-methyl-5-(methylsulfanylmethyl)tetrazole?
1-methyl-5-(methylsulfanylmethyl)tetrazole has a molecular weight of 144.20 g/mol, XLogP of 0.07, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(methylsulfanylmethyl)tetrazole is sourced from PubChem (CID 18985597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).