1-(diethylamino)ethanethiol

C6H15NS — CID 18331031

IUPAC1-(diethylamino)ethanethiol
SMILESCCN(CC)C(C)S
InChIInChI=1S/C6H15NS/c1-4-7(5-2)6(3)8/h6,8H,4-5H2,1-3H3
InChIKeyJOBAOCJQNOWKPH-UHFFFAOYSA-N
MW133.26 g/mol
LogP1.60
Rot. Bonds3

About 1-(diethylamino)ethanethiol

1-(diethylamino)ethanethiol (PubChem CID 18331031) has the molecular formula C6H15NS and a molecular weight of 133.26 g/mol. Its IUPAC name is 1-(diethylamino)ethanethiol.

Molecular Properties

Compound Name1-(diethylamino)ethanethiol
PubChem CID18331031
Molecular FormulaC6H15NS
Molecular Weight133.26 g/mol
Exact Mass133.09
IUPAC Name1-(diethylamino)ethanethiol
SMILESCCN(CC)C(C)S
InChIInChI=1S/C6H15NS/c1-4-7(5-2)6(3)8/h6,8H,4-5H2,1-3H3
InChIKeyJOBAOCJQNOWKPH-UHFFFAOYSA-N
XLogP1.60
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.26
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diethylamino)ethanethiol?
The IUPAC name of 1-(diethylamino)ethanethiol (CID 18331031) is 1-(diethylamino)ethanethiol.
What is the SMILES notation for 1-(diethylamino)ethanethiol?
The canonical SMILES for 1-(diethylamino)ethanethiol is CCN(CC)C(C)S.
What is the InChIKey of 1-(diethylamino)ethanethiol?
The InChIKey is JOBAOCJQNOWKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NS/c1-4-7(5-2)6(3)8/h6,8H,4-5H2,1-3H3.
What are the key properties of 1-(diethylamino)ethanethiol?
1-(diethylamino)ethanethiol has a molecular weight of 133.26 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)ethanethiol is sourced from PubChem (CID 18331031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).