3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol

C10H10O2S2 — CID 131146666

IUPAC3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol
SMILESCCOc1csc2cc(S)cc(O)c12
InChIInChI=1S/C10H10O2S2/c1-2-12-8-5-14-9-4-6(13)3-7(11)10(8)9/h3-5,11,13H,2H2,1H3
InChIKeyHLORONRQXYHOMK-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.29
Rot. Bonds2

About 3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol

3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol (PubChem CID 131146666) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol
PubChem CID131146666
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol
SMILESCCOc1csc2cc(S)cc(O)c12
InChIInChI=1S/C10H10O2S2/c1-2-12-8-5-14-9-4-6(13)3-7(11)10(8)9/h3-5,11,13H,2H2,1H3
InChIKeyHLORONRQXYHOMK-UHFFFAOYSA-N
XLogP3.29
TPSA29.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-5-methyl-1-benzothiophene-4-thiol
CID 130970957
4-bromo-3-ethoxy-6-methyl-1-benzothiophene
CID 131138210
3-ethoxy-5-iodo-1-benzothiophen-6-ol
CID 130985683
4-ethoxy-3-fluoro-1-benzothiophen-6-ol
CID 130870634
3-nitro-6-sulfanyl-1-benzothiophen-4-ol
CID 130821665
4-chloro-3-ethoxy-1-benzothiophen-7-ol
CID 131060322
7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol
CID 131146482
3-ethoxy-4-fluoro-5-methyl-1-benzothiophene
CID 130951877
6-ethoxy-3-iodo-1-benzothiophene-4-thiol
CID 131122618
5-ethoxy-3-fluoro-1-benzothiophene-4-thiol
CID 130792743
2-tert-butyl-6-ethoxy-4-sulfanylphenol
CID 174908633
2-ethoxy-4,5-difluorophenol
CID 131306358

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol?
The IUPAC name of 3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol (CID 131146666) is 3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol.
What is the SMILES notation for 3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol?
The canonical SMILES for 3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol is CCOc1csc2cc(S)cc(O)c12.
What is the InChIKey of 3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol?
The InChIKey is HLORONRQXYHOMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-2-12-8-5-14-9-4-6(13)3-7(11)10(8)9/h3-5,11,13H,2H2,1H3.
What are the key properties of 3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol?
3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol has a molecular weight of 226.32 g/mol, XLogP of 3.29, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol is sourced from PubChem (CID 131146666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).