2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol

C11H12OS2 — CID 23271535

IUPAC2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol
SMILESCc1c(SCCO)sc2ccccc12
InChIInChI=1S/C11H12OS2/c1-8-9-4-2-3-5-10(9)14-11(8)13-7-6-12/h2-5,12H,6-7H2,1H3
InChIKeyVCUMHEALXCLHLH-UHFFFAOYSA-N
MW224.35 g/mol
LogP3.29
Rot. Bonds3

About 2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol

2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol (PubChem CID 23271535) has the molecular formula C11H12OS2 and a molecular weight of 224.35 g/mol. Its IUPAC name is 2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol.

Molecular Properties

Compound Name2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol
PubChem CID23271535
Molecular FormulaC11H12OS2
Molecular Weight224.35 g/mol
Exact Mass224.03
IUPAC Name2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol
SMILESCc1c(SCCO)sc2ccccc12
InChIInChI=1S/C11H12OS2/c1-8-9-4-2-3-5-10(9)14-11(8)13-7-6-12/h2-5,12H,6-7H2,1H3
InChIKeyVCUMHEALXCLHLH-UHFFFAOYSA-N
XLogP3.29
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-2-(4-methylpenta-1,4-dien-2-yl)-1-benzothiophene
CID 174313018
(3-methyl-1-benzothiophen-2-yl)methanamine
CID 67504872
2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-methyl-1-benzothiophen-2-yl)ethanone
CID 17399832
N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]-3-methyl-1-benzothiophene-2-carboxamide
CID 104630064
3-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]propan-1-ol
CID 43770603
cyanomethyl 3-methyl-1-benzothiophene-2-carboxylate
CID 8666019
chloro 3-methyl-1-benzothiophene-2-carboxylate
CID 54436811
3-methyl-2-(2-methylprop-1-enyl)-1-benzothiophene
CID 153139876
2,3-bis(methylsulfanyl)-1-benzothiophene
CID 11009677
(3-hydroxyazetidin-1-yl)-(3-methyl-1-benzothiophen-2-yl)methanone
CID 63106231
bis(dibenzothiophene);ethane
CID 143921746
3-methyl-4-[1-(3-methyl-1-benzothiophen-2-yl)ethylamino]butan-1-ol
CID 66091326

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol?
The IUPAC name of 2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol (CID 23271535) is 2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol.
What is the SMILES notation for 2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol?
The canonical SMILES for 2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol is Cc1c(SCCO)sc2ccccc12.
What is the InChIKey of 2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol?
The InChIKey is VCUMHEALXCLHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS2/c1-8-9-4-2-3-5-10(9)14-11(8)13-7-6-12/h2-5,12H,6-7H2,1H3.
What are the key properties of 2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol?
2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol has a molecular weight of 224.35 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methyl-1-benzothiophen-2-yl)sulfanyl]ethanol is sourced from PubChem (CID 23271535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).