ethane-1,2-diol;methanethiol

C3H10O2S — CID 174955680

IUPACethane-1,2-diol;methanethiol
SMILESCS.OCCO
InChIInChI=1S/C2H6O2.CH4S/c3-1-2-4;1-2/h3-4H,1-2H2;2H,1H3
InChIKeyUVEDMQMSOVQQEB-UHFFFAOYSA-N
MW110.18 g/mol
LogP-0.48
Rot. Bonds1

About ethane-1,2-diol;methanethiol

ethane-1,2-diol;methanethiol (PubChem CID 174955680) has the molecular formula C3H10O2S and a molecular weight of 110.18 g/mol. Its IUPAC name is ethane-1,2-diol;methanethiol.

Molecular Properties

Compound Nameethane-1,2-diol;methanethiol
PubChem CID174955680
Molecular FormulaC3H10O2S
Molecular Weight110.18 g/mol
Exact Mass110.04
IUPAC Nameethane-1,2-diol;methanethiol
SMILESCS.OCCO
InChIInChI=1S/C2H6O2.CH4S/c3-1-2-4;1-2/h3-4H,1-2H2;2H,1H3
InChIKeyUVEDMQMSOVQQEB-UHFFFAOYSA-N
XLogP-0.48
TPSA40.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;ethanethiol
CID 160845424
ethane-1,2-diol;tetrahydrochloride
CID 19917613
ethane-1,2-diol;silane
CID 159802659
ethane-1,2-diol;dihydrochloride
CID 88711440
ethane-1,2-diol;palladium(2+)
CID 175783555
ethane-1,2-diol;titanium(4+)
CID 21124602
Ethylene glycol monosodium salt
CID 86592871
ethane-1,2-diol;rhenium
CID 175749522
CID 87524640
CID 87524640
ethane-1,2-diol;trihydrochloride
CID 172793976
ethane-1,2-diol;tetramethylazanium
CID 172788906
ethane-1,2-diol;hexakis(ethane-1,2-dithiol)
CID 22619653

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;methanethiol?
The IUPAC name of ethane-1,2-diol;methanethiol (CID 174955680) is ethane-1,2-diol;methanethiol.
What is the SMILES notation for ethane-1,2-diol;methanethiol?
The canonical SMILES for ethane-1,2-diol;methanethiol is CS.OCCO.
What is the InChIKey of ethane-1,2-diol;methanethiol?
The InChIKey is UVEDMQMSOVQQEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.CH4S/c3-1-2-4;1-2/h3-4H,1-2H2;2H,1H3.
What are the key properties of ethane-1,2-diol;methanethiol?
ethane-1,2-diol;methanethiol has a molecular weight of 110.18 g/mol, XLogP of -0.48, 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;methanethiol is sourced from PubChem (CID 174955680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).