dimethyl(3-sulfanylpropyl)azanium hydroxide

C5H15NOS — CID 141201675

IUPACdimethyl(3-sulfanylpropyl)azanium hydroxide
SMILESC[NH+](C)CCCS.[OH-]
InChIInChI=1S/C5H13NS.H2O/c1-6(2)4-3-5-7;/h7H,3-5H2,1-2H3;1H2
InChIKeyGYDNGLOURCNTIO-UHFFFAOYSA-N
MW137.25 g/mol
LogP-0.73
Rot. Bonds3

About dimethyl(3-sulfanylpropyl)azanium hydroxide

dimethyl(3-sulfanylpropyl)azanium hydroxide (PubChem CID 141201675) has the molecular formula C5H15NOS and a molecular weight of 137.25 g/mol. Its IUPAC name is dimethyl(3-sulfanylpropyl)azanium hydroxide.

Molecular Properties

Compound Namedimethyl(3-sulfanylpropyl)azanium hydroxide
PubChem CID141201675
Molecular FormulaC5H15NOS
Molecular Weight137.25 g/mol
Exact Mass137.09
IUPAC Namedimethyl(3-sulfanylpropyl)azanium hydroxide
SMILESC[NH+](C)CCCS.[OH-]
InChIInChI=1S/C5H13NS.H2O/c1-6(2)4-3-5-7;/h7H,3-5H2,1-2H3;1H2
InChIKeyGYDNGLOURCNTIO-UHFFFAOYSA-N
XLogP-0.73
TPSA34.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.25
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of dimethyl(3-sulfanylpropyl)azanium hydroxide?
The IUPAC name of dimethyl(3-sulfanylpropyl)azanium hydroxide (CID 141201675) is dimethyl(3-sulfanylpropyl)azanium hydroxide.
What is the SMILES notation for dimethyl(3-sulfanylpropyl)azanium hydroxide?
The canonical SMILES for dimethyl(3-sulfanylpropyl)azanium hydroxide is C[NH+](C)CCCS.[OH-].
What is the InChIKey of dimethyl(3-sulfanylpropyl)azanium hydroxide?
The InChIKey is GYDNGLOURCNTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13NS.H2O/c1-6(2)4-3-5-7;/h7H,3-5H2,1-2H3;1H2.
What are the key properties of dimethyl(3-sulfanylpropyl)azanium hydroxide?
dimethyl(3-sulfanylpropyl)azanium hydroxide has a molecular weight of 137.25 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl(3-sulfanylpropyl)azanium hydroxide is sourced from PubChem (CID 141201675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).