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

C10H10OS2 — CID 131145551

IUPAC7-ethyl-2-sulfanyl-1-benzothiophen-5-ol
SMILESCCc1cc(O)cc2cc(S)sc12
InChIInChI=1S/C10H10OS2/c1-2-6-3-8(11)4-7-5-9(12)13-10(6)7/h3-5,11-12H,2H2,1H3
InChIKeyUFOUBLWXKQHWHZ-UHFFFAOYSA-N
MW210.32 g/mol
LogP3.46
Rot. Bonds1

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

7-ethyl-2-sulfanyl-1-benzothiophen-5-ol (PubChem CID 131145551) has the molecular formula C10H10OS2 and a molecular weight of 210.32 g/mol. Its IUPAC name is 7-ethyl-2-sulfanyl-1-benzothiophen-5-ol.

Molecular Properties

Compound Name7-ethyl-2-sulfanyl-1-benzothiophen-5-ol
PubChem CID131145551
Molecular FormulaC10H10OS2
Molecular Weight210.32 g/mol
Exact Mass210.02
IUPAC Name7-ethyl-2-sulfanyl-1-benzothiophen-5-ol
SMILESCCc1cc(O)cc2cc(S)sc12
InChIInChI=1S/C10H10OS2/c1-2-6-3-8(11)4-7-5-9(12)13-10(6)7/h3-5,11-12H,2H2,1H3
InChIKeyUFOUBLWXKQHWHZ-UHFFFAOYSA-N
XLogP3.46
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-(hydroxymethyl)-2-sulfanyl-1-benzothiophen-7-ol
CID 130826901
CID 123368147
CID 123368147
7-hydroxy-2-sulfanyl-1-benzothiophene-5-carboxylic acid
CID 130821499
7-ethyl-1-benzothiophene-3,5-diol
CID 130785990
7-(bromomethyl)-2-methylsulfanyl-1-benzothiophen-5-ol
CID 130969983
7-(bromomethyl)-5-iodo-1-benzothiophene-2-thiol
CID 130969657
2-ethyl-6-methylbenzene-1,4-diol
CID 11686935
5-ethyl-4-methylbenzene-1,3-diol
CID 12815574
5-(2,3-diethyl-5-hydroxyphenyl)benzene-1,3-diol
CID 101303299
3-ethyl-4,5-difluorophenol
CID 147335111
5-bromo-2-(bromomethyl)-7-ethyl-1-benzothiophene
CID 131214219
2-chloro-7-ethyl-5-methylsulfanyl-1-benzothiophene
CID 130969913

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-sulfanyl-1-benzothiophen-5-ol?
The IUPAC name of 7-ethyl-2-sulfanyl-1-benzothiophen-5-ol (CID 131145551) is 7-ethyl-2-sulfanyl-1-benzothiophen-5-ol.
What is the SMILES notation for 7-ethyl-2-sulfanyl-1-benzothiophen-5-ol?
The canonical SMILES for 7-ethyl-2-sulfanyl-1-benzothiophen-5-ol is CCc1cc(O)cc2cc(S)sc12.
What is the InChIKey of 7-ethyl-2-sulfanyl-1-benzothiophen-5-ol?
The InChIKey is UFOUBLWXKQHWHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10OS2/c1-2-6-3-8(11)4-7-5-9(12)13-10(6)7/h3-5,11-12H,2H2,1H3.
What are the key properties of 7-ethyl-2-sulfanyl-1-benzothiophen-5-ol?
7-ethyl-2-sulfanyl-1-benzothiophen-5-ol has a molecular weight of 210.32 g/mol, XLogP of 3.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-sulfanyl-1-benzothiophen-5-ol is sourced from PubChem (CID 131145551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).