6-methylsulfanylhexylazanium

C7H18NS+ — CID 134835474

IUPAC6-methylsulfanylhexylazanium
SMILESCSCCCCCC[NH3+]
InChIInChI=1S/C7H17NS/c1-9-7-5-3-2-4-6-8/h2-8H2,1H3/p+1
InChIKeyHTQYVNNDNPYFCV-UHFFFAOYSA-O
MW148.29 g/mol
LogP1.15
Rot. Bonds6

About 6-methylsulfanylhexylazanium

6-methylsulfanylhexylazanium (PubChem CID 134835474) has the molecular formula C7H18NS+ and a molecular weight of 148.29 g/mol. Its IUPAC name is 6-methylsulfanylhexylazanium.

Molecular Properties

Compound Name6-methylsulfanylhexylazanium
PubChem CID134835474
Molecular FormulaC7H18NS+
Molecular Weight148.29 g/mol
Exact Mass148.12
IUPAC Name6-methylsulfanylhexylazanium
SMILESCSCCCCCC[NH3+]
InChIInChI=1S/C7H17NS/c1-9-7-5-3-2-4-6-8/h2-8H2,1H3/p+1
InChIKeyHTQYVNNDNPYFCV-UHFFFAOYSA-O
XLogP1.15
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.29
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-methylsulfanylhexylazanium?
The IUPAC name of 6-methylsulfanylhexylazanium (CID 134835474) is 6-methylsulfanylhexylazanium.
What is the SMILES notation for 6-methylsulfanylhexylazanium?
The canonical SMILES for 6-methylsulfanylhexylazanium is CSCCCCCC[NH3+].
What is the InChIKey of 6-methylsulfanylhexylazanium?
The InChIKey is HTQYVNNDNPYFCV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H17NS/c1-9-7-5-3-2-4-6-8/h2-8H2,1H3/p+1.
What are the key properties of 6-methylsulfanylhexylazanium?
6-methylsulfanylhexylazanium has a molecular weight of 148.29 g/mol, XLogP of 1.15, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylsulfanylhexylazanium is sourced from PubChem (CID 134835474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).