1-ethylsulfanyl-1,3-diphenylpropane-2-thione

C17H18S2 — CID 173258078

IUPAC1-ethylsulfanyl-1,3-diphenylpropane-2-thione
SMILESCCSC(C(=S)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18S2/c1-2-19-17(15-11-7-4-8-12-15)16(18)13-14-9-5-3-6-10-14/h3-12,17H,2,13H2,1H3
InChIKeyYNXUGEREAHTRCI-UHFFFAOYSA-N
MW286.47 g/mol
LogP5.09
Rot. Bonds6

About 1-ethylsulfanyl-1,3-diphenylpropane-2-thione

1-ethylsulfanyl-1,3-diphenylpropane-2-thione (PubChem CID 173258078) has the molecular formula C17H18S2 and a molecular weight of 286.47 g/mol. Its IUPAC name is 1-ethylsulfanyl-1,3-diphenylpropane-2-thione.

Molecular Properties

Compound Name1-ethylsulfanyl-1,3-diphenylpropane-2-thione
PubChem CID173258078
Molecular FormulaC17H18S2
Molecular Weight286.47 g/mol
Exact Mass286.08
IUPAC Name1-ethylsulfanyl-1,3-diphenylpropane-2-thione
SMILESCCSC(C(=S)Cc1ccccc1)c1ccccc1
InChIInChI=1S/C17H18S2/c1-2-19-17(15-11-7-4-8-12-15)16(18)13-14-9-5-3-6-10-14/h3-12,17H,2,13H2,1H3
InChIKeyYNXUGEREAHTRCI-UHFFFAOYSA-N
XLogP5.09
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.47
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-ethylsulfanyl-1,3-diphenylpropane-2-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

1-phenylpropane-2-thione
CID 19915653
N-[ethylsulfanyl(phenyl)methyl]benzenecarbothioamide
CID 11108957
ethane;1-ethylsulfanylethylbenzene
CID 91185856
2-ethylsulfanyl-1,2-diphenylethanol
CID 11242365
sodium;hydride;4-phenyl-3-sulfanylidenebutane-2-sulfonic acid
CID 173318768
ethane;2-phenylethanedithioic acid
CID 144720057
bis(ethylsulfanyl)-[ethylsulfanyl(phenyl)methyl]-sulfanylidene-lambda5-phosphane
CID 3097903
(1-ethylsulfanyl-3-methylbut-3-enyl)benzene
CID 142058363
3-ethylsulfanyl-3-phenyl-N-(2-phenylethyl)propanimidoyl cyanide
CID 102310536
2-ethylsulfanyl-N-methyl-2-phenylethanamine
CID 62577533
2-ethylsulfanyl-N-(4-hydroxy-2,3,5-trimethylphenyl)-2-phenylacetamide
CID 142168931
1-(2-methylpropylselanyl)-2-phenylethanethione
CID 134872162

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-1,3-diphenylpropane-2-thione?
The IUPAC name of 1-ethylsulfanyl-1,3-diphenylpropane-2-thione (CID 173258078) is 1-ethylsulfanyl-1,3-diphenylpropane-2-thione.
What is the SMILES notation for 1-ethylsulfanyl-1,3-diphenylpropane-2-thione?
The canonical SMILES for 1-ethylsulfanyl-1,3-diphenylpropane-2-thione is CCSC(C(=S)Cc1ccccc1)c1ccccc1.
What is the InChIKey of 1-ethylsulfanyl-1,3-diphenylpropane-2-thione?
The InChIKey is YNXUGEREAHTRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18S2/c1-2-19-17(15-11-7-4-8-12-15)16(18)13-14-9-5-3-6-10-14/h3-12,17H,2,13H2,1H3.
What are the key properties of 1-ethylsulfanyl-1,3-diphenylpropane-2-thione?
1-ethylsulfanyl-1,3-diphenylpropane-2-thione has a molecular weight of 286.47 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-1,3-diphenylpropane-2-thione is sourced from PubChem (CID 173258078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).