S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride

C20H26ClNOS — CID 11060

IUPACS-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride
SMILESCCN(CC)CCSC(=O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H25NOS.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
InChIKeyMZWKCFGWAWRHDY-UHFFFAOYSA-N
MW363.95 g/mol
LogP4.84
Rot. Bonds8

About S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride

S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride (PubChem CID 11060) has the molecular formula C20H26ClNOS and a molecular weight of 363.95 g/mol. Its IUPAC name is S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride.

Molecular Properties

Compound NameS-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride
PubChem CID11060
Molecular FormulaC20H26ClNOS
Molecular Weight363.95 g/mol
Exact Mass363.14
IUPAC NameS-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride
SMILESCCN(CC)CCSC(=O)C(c1ccccc1)c1ccccc1.Cl
InChIInChI=1S/C20H25NOS.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H
InChIKeyMZWKCFGWAWRHDY-UHFFFAOYSA-N
XLogP4.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.95
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride 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 S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride?
The IUPAC name of S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride (CID 11060) is S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride.
What is the SMILES notation for S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride?
The canonical SMILES for S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride is CCN(CC)CCSC(=O)C(c1ccccc1)c1ccccc1.Cl.
What is the InChIKey of S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride?
The InChIKey is MZWKCFGWAWRHDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25NOS.ClH/c1-3-21(4-2)15-16-23-20(22)19(17-11-7-5-8-12-17)18-13-9-6-10-14-18;/h5-14,19H,3-4,15-16H2,1-2H3;1H.
What are the key properties of S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride?
S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride has a molecular weight of 363.95 g/mol, XLogP of 4.84, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for S-[2-(diethylamino)ethyl] 2,2-diphenylethanethioate;hydrochloride is sourced from PubChem (CID 11060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).