2-ethyl-2,3-dihydro-1-benzothiophene

C10H12S — CID 13010667

IUPAC2-ethyl-2,3-dihydro-1-benzothiophene
SMILESCCC1Cc2ccccc2S1
InChIInChI=1S/C10H12S/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-6,9H,2,7H2,1H3
InChIKeyHKYGJTRLMKDUQT-UHFFFAOYSA-N
MW164.27 g/mol
LogP3.11
Rot. Bonds1

About 2-ethyl-2,3-dihydro-1-benzothiophene

2-ethyl-2,3-dihydro-1-benzothiophene (PubChem CID 13010667) has the molecular formula C10H12S and a molecular weight of 164.27 g/mol. Its IUPAC name is 2-ethyl-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Name2-ethyl-2,3-dihydro-1-benzothiophene
PubChem CID13010667
Molecular FormulaC10H12S
Molecular Weight164.27 g/mol
Exact Mass164.07
IUPAC Name2-ethyl-2,3-dihydro-1-benzothiophene
SMILESCCC1Cc2ccccc2S1
InChIInChI=1S/C10H12S/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-6,9H,2,7H2,1H3
InChIKeyHKYGJTRLMKDUQT-UHFFFAOYSA-N
XLogP3.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.27
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-methylpentan-3-amine
CID 79319379
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-N-ethylpropan-2-amine
CID 79318825
2-(propan-2-yloxymethyl)-2,3-dihydro-1-benzothiophene
CID 79404000
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)-3-ethylimidazol-2-one
CID 80582050
N-(2,3-dihydro-1-benzothiophen-2-ylmethyl)pentan-1-amine
CID 79213710
2-[2-(bromomethyl)-2-methylbutyl]-2,3-dihydro-1-benzothiophene
CID 79224397
1-(2,3-dihydro-1-benzothiophen-2-ylmethyl)cyclopropan-1-amine
CID 79223158
ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene
CID 142072053
2-ethyl-2,3-dihydrothiochromen-4-one
CID 10104048
2-(3-bromo-2-methylbutyl)-2,3-dihydro-1-benzothiophene
CID 79228756
2-(2-methylpropylsulfanylmethyl)-2,3-dihydro-1-benzothiophene
CID 79326208
2-(2,3-dihydro-1-benzothiophen-2-ylmethylsulfonyl)butanoic acid
CID 105354377

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2,3-dihydro-1-benzothiophene?
The IUPAC name of 2-ethyl-2,3-dihydro-1-benzothiophene (CID 13010667) is 2-ethyl-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for 2-ethyl-2,3-dihydro-1-benzothiophene?
The canonical SMILES for 2-ethyl-2,3-dihydro-1-benzothiophene is CCC1Cc2ccccc2S1.
What is the InChIKey of 2-ethyl-2,3-dihydro-1-benzothiophene?
The InChIKey is HKYGJTRLMKDUQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S/c1-2-9-7-8-5-3-4-6-10(8)11-9/h3-6,9H,2,7H2,1H3.
What are the key properties of 2-ethyl-2,3-dihydro-1-benzothiophene?
2-ethyl-2,3-dihydro-1-benzothiophene has a molecular weight of 164.27 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 13010667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).