ethane-1,2-diol;ethene;ethenylsulfanylethene

C10H20O2S — CID 159519701

IUPACethane-1,2-diol;ethene;ethenylsulfanylethene
SMILESC=C.C=C.C=CSC=C.OCCO
InChIInChI=1S/C4H6S.C2H6O2.2C2H4/c1-3-5-4-2;3-1-2-4;2*1-2/h3-4H,1-2H2;3-4H,1-2H2;2*1-2H2
InChIKeyMBQMTHBRLBBFAQ-UHFFFAOYSA-N
MW204.33 g/mol
LogP2.58
Rot. Bonds3

About ethane-1,2-diol;ethene;ethenylsulfanylethene

ethane-1,2-diol;ethene;ethenylsulfanylethene (PubChem CID 159519701) has the molecular formula C10H20O2S and a molecular weight of 204.33 g/mol. Its IUPAC name is ethane-1,2-diol;ethene;ethenylsulfanylethene.

Molecular Properties

Compound Nameethane-1,2-diol;ethene;ethenylsulfanylethene
PubChem CID159519701
Molecular FormulaC10H20O2S
Molecular Weight204.33 g/mol
Exact Mass204.12
IUPAC Nameethane-1,2-diol;ethene;ethenylsulfanylethene
SMILESC=C.C=C.C=CSC=C.OCCO
InChIInChI=1S/C4H6S.C2H6O2.2C2H4/c1-3-5-4-2;3-1-2-4;2*1-2/h3-4H,1-2H2;3-4H,1-2H2;2*1-2H2
InChIKeyMBQMTHBRLBBFAQ-UHFFFAOYSA-N
XLogP2.58
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-1,2-diol;ethene;ethenylsulfanylethene?
The IUPAC name of ethane-1,2-diol;ethene;ethenylsulfanylethene (CID 159519701) is ethane-1,2-diol;ethene;ethenylsulfanylethene.
What is the SMILES notation for ethane-1,2-diol;ethene;ethenylsulfanylethene?
The canonical SMILES for ethane-1,2-diol;ethene;ethenylsulfanylethene is C=C.C=C.C=CSC=C.OCCO.
What is the InChIKey of ethane-1,2-diol;ethene;ethenylsulfanylethene?
The InChIKey is MBQMTHBRLBBFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6S.C2H6O2.2C2H4/c1-3-5-4-2;3-1-2-4;2*1-2/h3-4H,1-2H2;3-4H,1-2H2;2*1-2H2.
What are the key properties of ethane-1,2-diol;ethene;ethenylsulfanylethene?
ethane-1,2-diol;ethene;ethenylsulfanylethene has a molecular weight of 204.33 g/mol, XLogP of 2.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethene;ethenylsulfanylethene is sourced from PubChem (CID 159519701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).