ethane-1,2-diol;ethenethiol

C4H10O2S — CID 87312598

IUPACethane-1,2-diol;ethenethiol
SMILESC=CS.OCCO
InChIInChI=1S/C2H6O2.C2H4S/c3-1-2-4;1-2-3/h3-4H,1-2H2;2-3H,1H2
InChIKeyYXRKJBUARMWMOW-UHFFFAOYSA-N
MW122.19 g/mol
LogP0.03
Rot. Bonds1

About ethane-1,2-diol;ethenethiol

ethane-1,2-diol;ethenethiol (PubChem CID 87312598) has the molecular formula C4H10O2S and a molecular weight of 122.19 g/mol. Its IUPAC name is ethane-1,2-diol;ethenethiol.

Molecular Properties

Compound Nameethane-1,2-diol;ethenethiol
PubChem CID87312598
Molecular FormulaC4H10O2S
Molecular Weight122.19 g/mol
Exact Mass122.04
IUPAC Nameethane-1,2-diol;ethenethiol
SMILESC=CS.OCCO
InChIInChI=1S/C2H6O2.C2H4S/c3-1-2-4;1-2-3/h3-4H,1-2H2;2-3H,1H2
InChIKeyYXRKJBUARMWMOW-UHFFFAOYSA-N
XLogP0.03
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.19
LogP ≤ 50.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethenethiol?
The IUPAC name of ethane-1,2-diol;ethenethiol (CID 87312598) is ethane-1,2-diol;ethenethiol.
What is the SMILES notation for ethane-1,2-diol;ethenethiol?
The canonical SMILES for ethane-1,2-diol;ethenethiol is C=CS.OCCO.
What is the InChIKey of ethane-1,2-diol;ethenethiol?
The InChIKey is YXRKJBUARMWMOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.C2H4S/c3-1-2-4;1-2-3/h3-4H,1-2H2;2-3H,1H2.
What are the key properties of ethane-1,2-diol;ethenethiol?
ethane-1,2-diol;ethenethiol has a molecular weight of 122.19 g/mol, XLogP of 0.03, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethenethiol is sourced from PubChem (CID 87312598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).