ethene;furan;methylsulfanylethene;1H-pyrrole

C13H19NOS — CID 144794209

IUPACethene;furan;methylsulfanylethene;1H-pyrrole
SMILESC=C.C=CSC.c1cc[nH]c1.c1ccoc1
InChIInChI=1S/C4H5N.C4H4O.C3H6S.C2H4/c2*1-2-4-5-3-1;1-3-4-2;1-2/h1-5H;1-4H;3H,1H2,2H3;1-2H2
InChIKeyMHELSDRECHLBGB-UHFFFAOYSA-N
MW237.37 g/mol
LogP4.59
Rot. Bonds1

About ethene;furan;methylsulfanylethene;1H-pyrrole

ethene;furan;methylsulfanylethene;1H-pyrrole (PubChem CID 144794209) has the molecular formula C13H19NOS and a molecular weight of 237.37 g/mol. Its IUPAC name is ethene;furan;methylsulfanylethene;1H-pyrrole.

Molecular Properties

Compound Nameethene;furan;methylsulfanylethene;1H-pyrrole
PubChem CID144794209
Molecular FormulaC13H19NOS
Molecular Weight237.37 g/mol
Exact Mass237.12
IUPAC Nameethene;furan;methylsulfanylethene;1H-pyrrole
SMILESC=C.C=CSC.c1cc[nH]c1.c1ccoc1
InChIInChI=1S/C4H5N.C4H4O.C3H6S.C2H4/c2*1-2-4-5-3-1;1-3-4-2;1-2/h1-5H;1-4H;3H,1H2,2H3;1-2H2
InChIKeyMHELSDRECHLBGB-UHFFFAOYSA-N
XLogP4.59
TPSA28.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.37
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethene;furan;methylsulfanylethene;1H-pyrrole?
The IUPAC name of ethene;furan;methylsulfanylethene;1H-pyrrole (CID 144794209) is ethene;furan;methylsulfanylethene;1H-pyrrole.
What is the SMILES notation for ethene;furan;methylsulfanylethene;1H-pyrrole?
The canonical SMILES for ethene;furan;methylsulfanylethene;1H-pyrrole is C=C.C=CSC.c1cc[nH]c1.c1ccoc1.
What is the InChIKey of ethene;furan;methylsulfanylethene;1H-pyrrole?
The InChIKey is MHELSDRECHLBGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H4O.C3H6S.C2H4/c2*1-2-4-5-3-1;1-3-4-2;1-2/h1-5H;1-4H;3H,1H2,2H3;1-2H2.
What are the key properties of ethene;furan;methylsulfanylethene;1H-pyrrole?
ethene;furan;methylsulfanylethene;1H-pyrrole has a molecular weight of 237.37 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;furan;methylsulfanylethene;1H-pyrrole is sourced from PubChem (CID 144794209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).