ethane-1,2-diol;ethenylsulfanyloxysulfanylethene

C6H12O3S2 — CID 174373640

IUPACethane-1,2-diol;ethenylsulfanyloxysulfanylethene
SMILESC=CSOSC=C.OCCO
InChIInChI=1S/C4H6OS2.C2H6O2/c1-3-6-5-7-4-2;3-1-2-4/h3-4H,1-2H2;3-4H,1-2H2
InChIKeySQNMQONAKKBDHM-UHFFFAOYSA-N
MW196.29 g/mol
LogP1.56
Rot. Bonds5

About ethane-1,2-diol;ethenylsulfanyloxysulfanylethene

ethane-1,2-diol;ethenylsulfanyloxysulfanylethene (PubChem CID 174373640) has the molecular formula C6H12O3S2 and a molecular weight of 196.29 g/mol. Its IUPAC name is ethane-1,2-diol;ethenylsulfanyloxysulfanylethene.

Molecular Properties

Compound Nameethane-1,2-diol;ethenylsulfanyloxysulfanylethene
PubChem CID174373640
Molecular FormulaC6H12O3S2
Molecular Weight196.29 g/mol
Exact Mass196.02
IUPAC Nameethane-1,2-diol;ethenylsulfanyloxysulfanylethene
SMILESC=CSOSC=C.OCCO
InChIInChI=1S/C4H6OS2.C2H6O2/c1-3-6-5-7-4-2;3-1-2-4/h3-4H,1-2H2;3-4H,1-2H2
InChIKeySQNMQONAKKBDHM-UHFFFAOYSA-N
XLogP1.56
TPSA49.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethenylsulfanyloxysulfanylethene?
The IUPAC name of ethane-1,2-diol;ethenylsulfanyloxysulfanylethene (CID 174373640) is ethane-1,2-diol;ethenylsulfanyloxysulfanylethene.
What is the SMILES notation for ethane-1,2-diol;ethenylsulfanyloxysulfanylethene?
The canonical SMILES for ethane-1,2-diol;ethenylsulfanyloxysulfanylethene is C=CSOSC=C.OCCO.
What is the InChIKey of ethane-1,2-diol;ethenylsulfanyloxysulfanylethene?
The InChIKey is SQNMQONAKKBDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6OS2.C2H6O2/c1-3-6-5-7-4-2;3-1-2-4/h3-4H,1-2H2;3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethenylsulfanyloxysulfanylethene?
ethane-1,2-diol;ethenylsulfanyloxysulfanylethene has a molecular weight of 196.29 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethenylsulfanyloxysulfanylethene is sourced from PubChem (CID 174373640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).