ethane;2-ethenyl-3-methylthiophene;prop-1-ene

C12H20S — CID 143900097

IUPACethane;2-ethenyl-3-methylthiophene;prop-1-ene
SMILESC=CC.C=Cc1sccc1C.CC
InChIInChI=1S/C7H8S.C3H6.C2H6/c1-3-7-6(2)4-5-8-7;1-3-2;1-2/h3-5H,1H2,2H3;3H,1H2,2H3;1-2H3
InChIKeyWCNWUWGANJZSJC-UHFFFAOYSA-N
MW196.36 g/mol
LogP4.92
Rot. Bonds1

About ethane;2-ethenyl-3-methylthiophene;prop-1-ene

ethane;2-ethenyl-3-methylthiophene;prop-1-ene (PubChem CID 143900097) has the molecular formula C12H20S and a molecular weight of 196.36 g/mol. Its IUPAC name is ethane;2-ethenyl-3-methylthiophene;prop-1-ene.

Molecular Properties

Compound Nameethane;2-ethenyl-3-methylthiophene;prop-1-ene
PubChem CID143900097
Molecular FormulaC12H20S
Molecular Weight196.36 g/mol
Exact Mass196.13
IUPAC Nameethane;2-ethenyl-3-methylthiophene;prop-1-ene
SMILESC=CC.C=Cc1sccc1C.CC
InChIInChI=1S/C7H8S.C3H6.C2H6/c1-3-7-6(2)4-5-8-7;1-3-2;1-2/h3-5H,1H2,2H3;3H,1H2,2H3;1-2H3
InChIKeyWCNWUWGANJZSJC-UHFFFAOYSA-N
XLogP4.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;2-ethenyl-3-methylthiophene;prop-1-ene?
The IUPAC name of ethane;2-ethenyl-3-methylthiophene;prop-1-ene (CID 143900097) is ethane;2-ethenyl-3-methylthiophene;prop-1-ene.
What is the SMILES notation for ethane;2-ethenyl-3-methylthiophene;prop-1-ene?
The canonical SMILES for ethane;2-ethenyl-3-methylthiophene;prop-1-ene is C=CC.C=Cc1sccc1C.CC.
What is the InChIKey of ethane;2-ethenyl-3-methylthiophene;prop-1-ene?
The InChIKey is WCNWUWGANJZSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8S.C3H6.C2H6/c1-3-7-6(2)4-5-8-7;1-3-2;1-2/h3-5H,1H2,2H3;3H,1H2,2H3;1-2H3.
What are the key properties of ethane;2-ethenyl-3-methylthiophene;prop-1-ene?
ethane;2-ethenyl-3-methylthiophene;prop-1-ene has a molecular weight of 196.36 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-ethenyl-3-methylthiophene;prop-1-ene is sourced from PubChem (CID 143900097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).