2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol

C10H10O2S2 — CID 131145325

IUPAC2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol
SMILESCCOc1cc2c(O)ccc(S)c2s1
InChIInChI=1S/C10H10O2S2/c1-2-12-9-5-6-7(11)3-4-8(13)10(6)14-9/h3-5,11,13H,2H2,1H3
InChIKeyKWOZGOAPPCRZFA-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.29
Rot. Bonds2

About 2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol

2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol (PubChem CID 131145325) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol
PubChem CID131145325
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol
SMILESCCOc1cc2c(O)ccc(S)c2s1
InChIInChI=1S/C10H10O2S2/c1-2-12-9-5-6-7(11)3-4-8(13)10(6)14-9/h3-5,11,13H,2H2,1H3
InChIKeyKWOZGOAPPCRZFA-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

7-sulfanyl-1-benzothiophene-2,4-diol
CID 130971818
5-bromo-2-ethoxy-1-benzothiophene-4-thiol
CID 130866367
4-ethoxy-1-benzothiophene-2,7-diol
CID 131191647
7-chloro-2-ethoxy-5-iodo-1-benzothiophene
CID 131218419
2-amino-4-ethoxy-1-benzothiophene-5-thiol
CID 131080544
5-chloro-2-ethoxy-4-methyl-1-benzothiophene
CID 130866123
2-ethyl-7-methoxy-1-benzothiophen-6-ol
CID 131057609
2-(hydroxymethyl)-7-methoxy-1-benzothiophen-4-ol
CID 130885124
4-ethyl-2-fluoro-1-benzothiophene-7-thiol
CID 131195859
3-ethoxy-2,4-diiodophenol
CID 118990980
2,4-diethoxy-3-methylphenol
CID 11030728
4-bromo-2-ethoxy-1-benzothiophen-5-amine
CID 131031143

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol?
The IUPAC name of 2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol (CID 131145325) is 2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol.
What is the SMILES notation for 2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol?
The canonical SMILES for 2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol is CCOc1cc2c(O)ccc(S)c2s1.
What is the InChIKey of 2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol?
The InChIKey is KWOZGOAPPCRZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-2-12-9-5-6-7(11)3-4-8(13)10(6)14-9/h3-5,11,13H,2H2,1H3.
What are the key properties of 2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol?
2-ethoxy-7-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 2-ethoxy-7-sulfanyl-1-benzothiophen-4-ol is sourced from PubChem (CID 131145325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).