3-(dimethylamino)propanethial;hydron

C5H12NS+ — CID 174363168

IUPAC3-(dimethylamino)propanethial;hydron
SMILESCN(C)CCC=S.[H+]
InChIInChI=1S/C5H11NS/c1-6(2)4-3-5-7/h5H,3-4H2,1-2H3/p+1
InChIKeyWPKQYYZXPVAZRV-UHFFFAOYSA-O
MW118.22 g/mol
LogP1.05
Rot. Bonds3

About 3-(dimethylamino)propanethial;hydron

3-(dimethylamino)propanethial;hydron (PubChem CID 174363168) has the molecular formula C5H12NS+ and a molecular weight of 118.22 g/mol. Its IUPAC name is 3-(dimethylamino)propanethial;hydron.

Molecular Properties

Compound Name3-(dimethylamino)propanethial;hydron
PubChem CID174363168
Molecular FormulaC5H12NS+
Molecular Weight118.22 g/mol
Exact Mass118.07
IUPAC Name3-(dimethylamino)propanethial;hydron
SMILESCN(C)CCC=S.[H+]
InChIInChI=1S/C5H11NS/c1-6(2)4-3-5-7/h5H,3-4H2,1-2H3/p+1
InChIKeyWPKQYYZXPVAZRV-UHFFFAOYSA-O
XLogP1.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500118.22
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_aldehyd_A(3)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)propanethial;hydron?
The IUPAC name of 3-(dimethylamino)propanethial;hydron (CID 174363168) is 3-(dimethylamino)propanethial;hydron.
What is the SMILES notation for 3-(dimethylamino)propanethial;hydron?
The canonical SMILES for 3-(dimethylamino)propanethial;hydron is CN(C)CCC=S.[H+].
What is the InChIKey of 3-(dimethylamino)propanethial;hydron?
The InChIKey is WPKQYYZXPVAZRV-UHFFFAOYSA-O. The full InChI is InChI=1S/C5H11NS/c1-6(2)4-3-5-7/h5H,3-4H2,1-2H3/p+1.
What are the key properties of 3-(dimethylamino)propanethial;hydron?
3-(dimethylamino)propanethial;hydron has a molecular weight of 118.22 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)propanethial;hydron is sourced from PubChem (CID 174363168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).