7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol

C10H10O2S2 — CID 131146482

IUPAC7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol
SMILESCCOc1cc(S)cc2cc(O)sc12
InChIInChI=1S/C10H10O2S2/c1-2-12-8-5-7(13)3-6-4-9(11)14-10(6)8/h3-5,11,13H,2H2,1H3
InChIKeyUZNHMUBBQJOVAC-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.29
Rot. Bonds2

About 7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol

7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol (PubChem CID 131146482) has the molecular formula C10H10O2S2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol.

Molecular Properties

Compound Name7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol
PubChem CID131146482
Molecular FormulaC10H10O2S2
Molecular Weight226.32 g/mol
Exact Mass226.01
IUPAC Name7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol
SMILESCCOc1cc(S)cc2cc(O)sc12
InChIInChI=1S/C10H10O2S2/c1-2-12-8-5-7(13)3-6-4-9(11)14-10(6)8/h3-5,11,13H,2H2,1H3
InChIKeyUZNHMUBBQJOVAC-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

2-amino-7-ethoxy-1-benzothiophene-5-thiol
CID 130816647
4-ethoxy-1-benzothiophene-2,7-diol
CID 131191647
2-tert-butyl-6-ethoxy-4-sulfanylphenol
CID 174908633
5-ethoxy-6-iodo-1-benzothiophen-2-ol
CID 131096884
5-bromo-7-ethoxy-2-methyl-1-benzothiophene
CID 130866388
5-chloro-7-ethoxy-2-methyl-1-benzothiophene
CID 130803709
3-ethoxy-6-sulfanyl-1-benzothiophen-4-ol
CID 131146666
4-amino-5-ethoxy-1-benzothiophen-2-ol
CID 130941853
3,4,5-triethoxyphenol
CID 19754898
5-amino-6-ethoxy-1-benzothiophene-2-thiol
CID 131054042
(7-methyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 131080883
5-ethoxy-7-iodo-1-benzothiophene-6-thiol
CID 130988096

Frequently Asked Questions

What is the IUPAC name of 7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol?
The IUPAC name of 7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol (CID 131146482) is 7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol.
What is the SMILES notation for 7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol?
The canonical SMILES for 7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol is CCOc1cc(S)cc2cc(O)sc12.
What is the InChIKey of 7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol?
The InChIKey is UZNHMUBBQJOVAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10O2S2/c1-2-12-8-5-7(13)3-6-4-9(11)14-10(6)8/h3-5,11,13H,2H2,1H3.
What are the key properties of 7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol?
7-ethoxy-5-sulfanyl-1-benzothiophen-2-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 7-ethoxy-5-sulfanyl-1-benzothiophen-2-ol is sourced from PubChem (CID 131146482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).