2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol

C11H12OS2 — CID 130913641

IUPAC2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol
SMILESCCc1cc2c(O)c(SC)ccc2s1
InChIInChI=1S/C11H12OS2/c1-3-7-6-8-9(14-7)4-5-10(13-2)11(8)12/h4-6,12H,3H2,1-2H3
InChIKeyAMVUHUSMRTVBOX-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.89
Rot. Bonds2

About 2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol

2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol (PubChem CID 130913641) has the molecular formula C11H12OS2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol.

Molecular Properties

Compound Name2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol
PubChem CID130913641
Molecular FormulaC11H12OS2
Molecular Weight224.35 g/mol
Exact Mass224.03
IUPAC Name2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol
SMILESCCc1cc2c(O)c(SC)ccc2s1
InChIInChI=1S/C11H12OS2/c1-3-7-6-8-9(14-7)4-5-10(13-2)11(8)12/h4-6,12H,3H2,1-2H3
InChIKeyAMVUHUSMRTVBOX-UHFFFAOYSA-N
XLogP3.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,16-diethyl-6,17-dithiapentacyclo[11.7.0.02,10.05,9.014,18]icosa-1(13),2(10),3,5(9),7,11,14(18),15,19-nonaene
CID 118651605
7-ethyl-2-propan-2-ylthieno[3,2-e][1]benzothiole
CID 144783026
(5-bromo-2-ethyl-1-benzothiophen-4-yl)methanol
CID 130951766
5-bromo-4-chloro-2-ethyl-1-benzothiophene
CID 131030854
7-ethyl-6,18-dithiahexacyclo[11.11.0.02,10.05,9.014,22.017,21]tetracosa-1(13),2(10),3,5(9),7,11,14(22),15,17(21),19,23-undecaene
CID 58411414
4-bromo-5-(bromomethyl)-2-ethyl-1-benzothiophene
CID 130792061
2-ethyl-4-iodo-1-benzothiophene
CID 135322307
4-(bromomethyl)-2-ethyl-1-benzothiophen-5-amine
CID 130788319
(4-methylsulfanyl-5-sulfanyl-1-benzothiophen-2-yl)methanol
CID 130855375
2-(chloromethyl)-5-methoxy-1-benzothiophen-4-ol
CID 131034506
6-(bromomethyl)-2-ethyl-1-benzothiophen-4-ol
CID 130941761
2-ethyl-6-hydroxy-1-benzothiophene-4-carbaldehyde
CID 131150677

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol?
The IUPAC name of 2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol (CID 130913641) is 2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol.
What is the SMILES notation for 2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol?
The canonical SMILES for 2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol is CCc1cc2c(O)c(SC)ccc2s1.
What is the InChIKey of 2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol?
The InChIKey is AMVUHUSMRTVBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS2/c1-3-7-6-8-9(14-7)4-5-10(13-2)11(8)12/h4-6,12H,3H2,1-2H3.
What are the key properties of 2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol?
2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol has a molecular weight of 224.35 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methylsulfanyl-1-benzothiophen-4-ol is sourced from PubChem (CID 130913641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).