ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene

C15H26S — CID 142072053

IUPACethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene
SMILESCC.CC.CCC1Cc2cc(C)ccc2S1
InChIInChI=1S/C11H14S.2C2H6/c1-3-10-7-9-6-8(2)4-5-11(9)12-10;2*1-2/h4-6,10H,3,7H2,1-2H3;2*1-2H3
InChIKeyNYMRQRPNLIEYES-UHFFFAOYSA-N
MW238.44 g/mol
LogP5.47
Rot. Bonds1

About ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene

ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene (PubChem CID 142072053) has the molecular formula C15H26S and a molecular weight of 238.44 g/mol. Its IUPAC name is ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene.

Molecular Properties

Compound Nameethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene
PubChem CID142072053
Molecular FormulaC15H26S
Molecular Weight238.44 g/mol
Exact Mass238.18
IUPAC Nameethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene
SMILESCC.CC.CCC1Cc2cc(C)ccc2S1
InChIInChI=1S/C11H14S.2C2H6/c1-3-10-7-9-6-8(2)4-5-11(9)12-10;2*1-2/h4-6,10H,3,7H2,1-2H3;2*1-2H3
InChIKeyNYMRQRPNLIEYES-UHFFFAOYSA-N
XLogP5.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500238.44
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene?
The IUPAC name of ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene (CID 142072053) is ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene.
What is the SMILES notation for ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene?
The canonical SMILES for ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene is CC.CC.CCC1Cc2cc(C)ccc2S1.
What is the InChIKey of ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene?
The InChIKey is NYMRQRPNLIEYES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14S.2C2H6/c1-3-10-7-9-6-8(2)4-5-11(9)12-10;2*1-2/h4-6,10H,3,7H2,1-2H3;2*1-2H3.
What are the key properties of ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene?
ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene has a molecular weight of 238.44 g/mol, XLogP of 5.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethyl-5-methyl-2,3-dihydro-1-benzothiophene is sourced from PubChem (CID 142072053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).