ethane;ethanol;thiophene

C8H16OS — CID 91185044

IUPACethane;ethanol;thiophene
SMILESCC.CCO.c1ccsc1
InChIInChI=1S/C4H4S.C2H6O.C2H6/c1-2-4-5-3-1;1-2-3;1-2/h1-4H;3H,2H2,1H3;1-2H3
InChIKeyAMMBOAAXRZCLHW-UHFFFAOYSA-N
MW160.28 g/mol
LogP2.77
Rot. Bonds

About ethane;ethanol;thiophene

ethane;ethanol;thiophene (PubChem CID 91185044) has the molecular formula C8H16OS and a molecular weight of 160.28 g/mol. Its IUPAC name is ethane;ethanol;thiophene.

Molecular Properties

Compound Nameethane;ethanol;thiophene
PubChem CID91185044
Molecular FormulaC8H16OS
Molecular Weight160.28 g/mol
Exact Mass160.09
IUPAC Nameethane;ethanol;thiophene
SMILESCC.CCO.c1ccsc1
InChIInChI=1S/C4H4S.C2H6O.C2H6/c1-2-4-5-3-1;1-2-3;1-2/h1-4H;3H,2H2,1H3;1-2H3
InChIKeyAMMBOAAXRZCLHW-UHFFFAOYSA-N
XLogP2.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.28
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;ethanol;thiophene?
The IUPAC name of ethane;ethanol;thiophene (CID 91185044) is ethane;ethanol;thiophene.
What is the SMILES notation for ethane;ethanol;thiophene?
The canonical SMILES for ethane;ethanol;thiophene is CC.CCO.c1ccsc1.
What is the InChIKey of ethane;ethanol;thiophene?
The InChIKey is AMMBOAAXRZCLHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.C2H6O.C2H6/c1-2-4-5-3-1;1-2-3;1-2/h1-4H;3H,2H2,1H3;1-2H3.
What are the key properties of ethane;ethanol;thiophene?
ethane;ethanol;thiophene has a molecular weight of 160.28 g/mol, XLogP of 2.77, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethanol;thiophene is sourced from PubChem (CID 91185044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).