3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol

C9H14OS2 — CID 116504809

IUPAC3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol
SMILESCCSCCC(O)c1cccs1
InChIInChI=1S/C9H14OS2/c1-2-11-7-5-8(10)9-4-3-6-12-9/h3-4,6,8,10H,2,5,7H2,1H3
InChIKeyXIQKLXUREXDDOU-UHFFFAOYSA-N
MW202.34 g/mol
LogP2.92
Rot. Bonds5

About 3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol

3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol (PubChem CID 116504809) has the molecular formula C9H14OS2 and a molecular weight of 202.34 g/mol. Its IUPAC name is 3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol.

Molecular Properties

Compound Name3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol
PubChem CID116504809
Molecular FormulaC9H14OS2
Molecular Weight202.34 g/mol
Exact Mass202.05
IUPAC Name3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol
SMILESCCSCCC(O)c1cccs1
InChIInChI=1S/C9H14OS2/c1-2-11-7-5-8(10)9-4-3-6-12-9/h3-4,6,8,10H,2,5,7H2,1H3
InChIKeyXIQKLXUREXDDOU-UHFFFAOYSA-N
XLogP2.92
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.34
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol 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

(1R)-3-phenylsulfanyl-1-thiophen-2-ylpropan-1-ol
CID 94830631
3-ethylsulfanyl-1-phenylpropan-1-ol
CID 12525073
1-(3-chlorothiophen-2-yl)-3-ethylsulfanylpropan-1-ol
CID 107359197
N-(3-hydroxy-3-thiophen-2-ylpropyl)-2-methylpropanamide
CID 90523992
1-[4-(2-hydroxypropylsulfanyl)-3-thiophen-2-ylbutyl]sulfanylpropan-2-ol
CID 91163824
[(3S)-3-hydroxy-3-thiophen-2-ylpropyl]-(trideuteriomethyl)azanium
CID 58297769
2-[4-(2-ethylsulfanylethyl)morpholin-3-yl]-1-thiophen-2-ylethanol
CID 111976091
2-bromo-1-thiophen-2-ylethanol
CID 22324999
(1S)-2-chloro-1-thiophen-2-ylethanol
CID 15981658
3-[butyl(ethyl)amino]-1-thiophen-2-ylpropan-1-ol
CID 82074207
2-(methylamino)-1-thiophen-2-ylethanol
CID 22498745
4-methoxy-4-methyl-1-thiophen-2-ylpentan-1-ol
CID 103028394

Frequently Asked Questions

What is the IUPAC name of 3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol?
The IUPAC name of 3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol (CID 116504809) is 3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol.
What is the SMILES notation for 3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol?
The canonical SMILES for 3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol is CCSCCC(O)c1cccs1.
What is the InChIKey of 3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol?
The InChIKey is XIQKLXUREXDDOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS2/c1-2-11-7-5-8(10)9-4-3-6-12-9/h3-4,6,8,10H,2,5,7H2,1H3.
What are the key properties of 3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol?
3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol has a molecular weight of 202.34 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylsulfanyl-1-thiophen-2-ylpropan-1-ol is sourced from PubChem (CID 116504809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).