3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione

C14H19NS2 — CID 10864850

IUPAC3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione
SMILESCCCSC(=CC(=S)c1ccccc1)NCC
InChIInChI=1S/C14H19NS2/c1-3-10-17-14(15-4-2)11-13(16)12-8-6-5-7-9-12/h5-9,11,15H,3-4,10H2,1-2H3
InChIKeyMNQDGTYBCHOWBD-UHFFFAOYSA-N
MW265.45 g/mol
LogP4.00
Rot. Bonds7

About 3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione

3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione (PubChem CID 10864850) has the molecular formula C14H19NS2 and a molecular weight of 265.45 g/mol. Its IUPAC name is 3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione.

Molecular Properties

Compound Name3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione
PubChem CID10864850
Molecular FormulaC14H19NS2
Molecular Weight265.45 g/mol
Exact Mass265.10
IUPAC Name3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione
SMILESCCCSC(=CC(=S)c1ccccc1)NCC
InChIInChI=1S/C14H19NS2/c1-3-10-17-14(15-4-2)11-13(16)12-8-6-5-7-9-12/h5-9,11,15H,3-4,10H2,1-2H3
InChIKeyMNQDGTYBCHOWBD-UHFFFAOYSA-N
XLogP4.00
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.45
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_ketone(43)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione with MolForge

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

Launch Full Analysis

Related Compounds

(E)-3-(ethylamino)-1-phenyl-3-phenylsulfanylprop-2-ene-1-thione
CID 11808713
(E)-3-(methylamino)-3-(4-methylphenyl)sulfanyl-1-phenylprop-2-ene-1-thione
CID 11130337
3-(hydroxyamino)-1-phenylbut-2-ene-1-thione
CID 87477009
butyl benzenecarbodithioate
CID 578502
octyl 3,3-diphenylprop-2-enedithioate
CID 102189607
N-ethyl-3-phenyl-3-sulfanylidenepropanamide
CID 121218710
ethyl benzenecarbodithioate
CID 578579
N-ethylbenzamide
CID 160772566
hydrazine;O-methyl benzenecarbothioate
CID 157129425
propyl N-ethyl-N-phenylcarbamodithioate
CID 71384750
N-ethylbenzamide;hydrochloride
CID 57444995
benzenecarbodithioic acid;N-propylpropan-1-amine
CID 71406753

Frequently Asked Questions

What is the IUPAC name of 3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione?
The IUPAC name of 3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione (CID 10864850) is 3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione.
What is the SMILES notation for 3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione?
The canonical SMILES for 3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione is CCCSC(=CC(=S)c1ccccc1)NCC.
What is the InChIKey of 3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione?
The InChIKey is MNQDGTYBCHOWBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NS2/c1-3-10-17-14(15-4-2)11-13(16)12-8-6-5-7-9-12/h5-9,11,15H,3-4,10H2,1-2H3.
What are the key properties of 3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione?
3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione has a molecular weight of 265.45 g/mol, XLogP of 4.00, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(ethylamino)-1-phenyl-3-propylsulfanylprop-2-ene-1-thione is sourced from PubChem (CID 10864850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).