1-[(S)-methylsulfinyl]ethene

C3H6OS — CID 12645971

IUPAC1-[(S)-methylsulfinyl]ethene
SMILESC=C[S@](C)=O
InChIInChI=1S/C3H6OS/c1-3-5(2)4/h3H,1H2,2H3/t5-/m0/s1
InChIKeyUDDBCWCQRQREBI-YFKPBYRVSA-N
MW90.15 g/mol
LogP0.51
Rot. Bonds1

About 1-[(S)-methylsulfinyl]ethene

1-[(S)-methylsulfinyl]ethene (PubChem CID 12645971) has the molecular formula C3H6OS and a molecular weight of 90.15 g/mol. Its IUPAC name is 1-[(S)-methylsulfinyl]ethene.

Molecular Properties

Compound Name1-[(S)-methylsulfinyl]ethene
PubChem CID12645971
Molecular FormulaC3H6OS
Molecular Weight90.15 g/mol
Exact Mass90.01
IUPAC Name1-[(S)-methylsulfinyl]ethene
SMILESC=C[S@](C)=O
InChIInChI=1S/C3H6OS/c1-3-5(2)4/h3H,1H2,2H3/t5-/m0/s1
InChIKeyUDDBCWCQRQREBI-YFKPBYRVSA-N
XLogP0.51
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50090.15
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-methylsulfinyl]ethene?
The IUPAC name of 1-[(S)-methylsulfinyl]ethene (CID 12645971) is 1-[(S)-methylsulfinyl]ethene.
What is the SMILES notation for 1-[(S)-methylsulfinyl]ethene?
The canonical SMILES for 1-[(S)-methylsulfinyl]ethene is C=C[S@](C)=O.
What is the InChIKey of 1-[(S)-methylsulfinyl]ethene?
The InChIKey is UDDBCWCQRQREBI-YFKPBYRVSA-N. The full InChI is InChI=1S/C3H6OS/c1-3-5(2)4/h3H,1H2,2H3/t5-/m0/s1.
What are the key properties of 1-[(S)-methylsulfinyl]ethene?
1-[(S)-methylsulfinyl]ethene has a molecular weight of 90.15 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-methylsulfinyl]ethene is sourced from PubChem (CID 12645971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).