2-(dimethylamino)ethanethiol

C4H11NS — CID 25799

IUPAC2-(dimethylamino)ethanethiol
SMILESCN(C)CCS
InChIInChI=1S/C4H11NS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
InChIKeyDENMGZODXQRYAR-UHFFFAOYSA-N
MW105.21 g/mol
LogP0.48
Rot. Bonds2

About 2-(dimethylamino)ethanethiol

2-(dimethylamino)ethanethiol (PubChem CID 25799) has the molecular formula C4H11NS and a molecular weight of 105.21 g/mol. Its IUPAC name is 2-(dimethylamino)ethanethiol.

Molecular Properties

Compound Name2-(dimethylamino)ethanethiol
PubChem CID25799
Molecular FormulaC4H11NS
Molecular Weight105.21 g/mol
Exact Mass105.06
IUPAC Name2-(dimethylamino)ethanethiol
SMILESCN(C)CCS
InChIInChI=1S/C4H11NS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3
InChIKeyDENMGZODXQRYAR-UHFFFAOYSA-N
XLogP0.48
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.21
LogP ≤ 50.48
H-Bond Donors ≤ 51
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 2-(dimethylamino)ethanethiol?
The IUPAC name of 2-(dimethylamino)ethanethiol (CID 25799) is 2-(dimethylamino)ethanethiol.
What is the SMILES notation for 2-(dimethylamino)ethanethiol?
The canonical SMILES for 2-(dimethylamino)ethanethiol is CN(C)CCS.
What is the InChIKey of 2-(dimethylamino)ethanethiol?
The InChIKey is DENMGZODXQRYAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NS/c1-5(2)3-4-6/h6H,3-4H2,1-2H3.
What are the key properties of 2-(dimethylamino)ethanethiol?
2-(dimethylamino)ethanethiol has a molecular weight of 105.21 g/mol, XLogP of 0.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethanethiol is sourced from PubChem (CID 25799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).