2-(ethylamino)-3,3,3-trifluoropropane-1-thiol

C5H10F3NS — CID 130892591

IUPAC2-(ethylamino)-3,3,3-trifluoropropane-1-thiol
SMILESCCNC(CS)C(F)(F)F
InChIInChI=1S/C5H10F3NS/c1-2-9-4(3-10)5(6,7)8/h4,9-10H,2-3H2,1H3
InChIKeyDFOUMLLVRZLOJJ-UHFFFAOYSA-N
MW173.20 g/mol
LogP1.46
Rot. Bonds3

About 2-(ethylamino)-3,3,3-trifluoropropane-1-thiol

2-(ethylamino)-3,3,3-trifluoropropane-1-thiol (PubChem CID 130892591) has the molecular formula C5H10F3NS and a molecular weight of 173.20 g/mol. Its IUPAC name is 2-(ethylamino)-3,3,3-trifluoropropane-1-thiol.

Molecular Properties

Compound Name2-(ethylamino)-3,3,3-trifluoropropane-1-thiol
PubChem CID130892591
Molecular FormulaC5H10F3NS
Molecular Weight173.20 g/mol
Exact Mass173.05
IUPAC Name2-(ethylamino)-3,3,3-trifluoropropane-1-thiol
SMILESCCNC(CS)C(F)(F)F
InChIInChI=1S/C5H10F3NS/c1-2-9-4(3-10)5(6,7)8/h4,9-10H,2-3H2,1H3
InChIKeyDFOUMLLVRZLOJJ-UHFFFAOYSA-N
XLogP1.46
TPSA12.03 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(ethylamino)-3,3,3-trifluoropropane-1-thiol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-3,3,3-trifluoropropane-1-thiol?
The IUPAC name of 2-(ethylamino)-3,3,3-trifluoropropane-1-thiol (CID 130892591) is 2-(ethylamino)-3,3,3-trifluoropropane-1-thiol.
What is the SMILES notation for 2-(ethylamino)-3,3,3-trifluoropropane-1-thiol?
The canonical SMILES for 2-(ethylamino)-3,3,3-trifluoropropane-1-thiol is CCNC(CS)C(F)(F)F.
What is the InChIKey of 2-(ethylamino)-3,3,3-trifluoropropane-1-thiol?
The InChIKey is DFOUMLLVRZLOJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NS/c1-2-9-4(3-10)5(6,7)8/h4,9-10H,2-3H2,1H3.
What are the key properties of 2-(ethylamino)-3,3,3-trifluoropropane-1-thiol?
2-(ethylamino)-3,3,3-trifluoropropane-1-thiol has a molecular weight of 173.20 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-3,3,3-trifluoropropane-1-thiol is sourced from PubChem (CID 130892591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).