ethane-1,2-diol;ethenylsulfanylethene

C6H12O2S — CID 23432704

IUPACethane-1,2-diol;ethenylsulfanylethene
SMILESC=CSC=C.OCCO
InChIInChI=1S/C4H6S.C2H6O2/c1-3-5-4-2;3-1-2-4/h3-4H,1-2H2;3-4H,1-2H2
InChIKeyPOEDGKQVSZMEQS-UHFFFAOYSA-N
MW148.23 g/mol
LogP0.98
Rot. Bonds3

About ethane-1,2-diol;ethenylsulfanylethene

ethane-1,2-diol;ethenylsulfanylethene (PubChem CID 23432704) has the molecular formula C6H12O2S and a molecular weight of 148.23 g/mol. Its IUPAC name is ethane-1,2-diol;ethenylsulfanylethene.

Molecular Properties

Compound Nameethane-1,2-diol;ethenylsulfanylethene
PubChem CID23432704
Molecular FormulaC6H12O2S
Molecular Weight148.23 g/mol
Exact Mass148.06
IUPAC Nameethane-1,2-diol;ethenylsulfanylethene
SMILESC=CSC=C.OCCO
InChIInChI=1S/C4H6S.C2H6O2/c1-3-5-4-2;3-1-2-4/h3-4H,1-2H2;3-4H,1-2H2
InChIKeyPOEDGKQVSZMEQS-UHFFFAOYSA-N
XLogP0.98
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.23
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Ethanol, 2-(ethenylthio)-
CID 520498
1-(2-Hydroxyethoxy)-2-(vinylthio)ethane
CID 542319
Ethanol, 2,2'-[1,2-ethenediylbis(thio)]bis-
CID 87790083
2-[(Z)-2-(2-hydroxyethylsulfanyl)ethenyl]sulfanylethanol
CID 59080451
2-[2-(2-Hydroxyethylsulfanyl)ethenylsulfanyl]ethanol
CID 72510312
Ethane-1,2-diol;ethenethiol
CID 87312598
Ethene;2-(2-hydroxyethylsulfanyl)ethanol
CID 88363310
2-(2-Hydroxyethenylsulfanyl)ethenol
CID 145774485
2-[[(E)-2-hydroxyethenyl]disulfanyl]ethanol
CID 156452247
Ethane-1,2-diol;ethene;ethenylsulfanylethene
CID 159519701
2-Ethenylsulfanyloxyethanol
CID 174373639
Ethane-1,2-diol;ethenylsulfanyloxysulfanylethene
CID 174373640

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethenylsulfanylethene?
The IUPAC name of ethane-1,2-diol;ethenylsulfanylethene (CID 23432704) is ethane-1,2-diol;ethenylsulfanylethene.
What is the SMILES notation for ethane-1,2-diol;ethenylsulfanylethene?
The canonical SMILES for ethane-1,2-diol;ethenylsulfanylethene is C=CSC=C.OCCO.
What is the InChIKey of ethane-1,2-diol;ethenylsulfanylethene?
The InChIKey is POEDGKQVSZMEQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6S.C2H6O2/c1-3-5-4-2;3-1-2-4/h3-4H,1-2H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethenylsulfanylethene?
ethane-1,2-diol;ethenylsulfanylethene has a molecular weight of 148.23 g/mol, XLogP of 0.98, 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;ethenylsulfanylethene is sourced from PubChem (CID 23432704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).