ethane-1,2-diol;ethanethiol

C6H18O2S2 — CID 160845424

IUPACethane-1,2-diol;ethanethiol
SMILESCCS.CCS.OCCO
InChIInChI=1S/C2H6O2.2C2H6S/c3-1-2-4;2*1-2-3/h3-4H,1-2H2;2*3H,2H2,1H3
InChIKeySIOSFCLPDPXUGT-UHFFFAOYSA-N
MW186.34 g/mol
LogP0.84
Rot. Bonds1

About ethane-1,2-diol;ethanethiol

ethane-1,2-diol;ethanethiol (PubChem CID 160845424) has the molecular formula C6H18O2S2 and a molecular weight of 186.34 g/mol. Its IUPAC name is ethane-1,2-diol;ethanethiol.

Molecular Properties

Compound Nameethane-1,2-diol;ethanethiol
PubChem CID160845424
Molecular FormulaC6H18O2S2
Molecular Weight186.34 g/mol
Exact Mass186.07
IUPAC Nameethane-1,2-diol;ethanethiol
SMILESCCS.CCS.OCCO
InChIInChI=1S/C2H6O2.2C2H6S/c3-1-2-4;2*1-2-3/h3-4H,1-2H2;2*3H,2H2,1H3
InChIKeySIOSFCLPDPXUGT-UHFFFAOYSA-N
XLogP0.84
TPSA40.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.34
LogP ≤ 50.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane-1,2-diol;methanethiol
CID 174955680
(1,2-13C2)ethanethiol
CID 169439901
ethane-1,2-diol;hexakis(ethane-1,2-dithiol)
CID 22619653
2-sulfanyl(1,2-13C2)ethanol
CID 71308868
ethane-1,2-dithiol;ethanol;propane
CID 90729745
Ethylene glycol monosodium salt
CID 86592871
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;rhenium
CID 175749522
ethane-1,2-diol;titanium(4+)
CID 21124602

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethanethiol?
The IUPAC name of ethane-1,2-diol;ethanethiol (CID 160845424) is ethane-1,2-diol;ethanethiol.
What is the SMILES notation for ethane-1,2-diol;ethanethiol?
The canonical SMILES for ethane-1,2-diol;ethanethiol is CCS.CCS.OCCO.
What is the InChIKey of ethane-1,2-diol;ethanethiol?
The InChIKey is SIOSFCLPDPXUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6O2.2C2H6S/c3-1-2-4;2*1-2-3/h3-4H,1-2H2;2*3H,2H2,1H3.
What are the key properties of ethane-1,2-diol;ethanethiol?
ethane-1,2-diol;ethanethiol has a molecular weight of 186.34 g/mol, XLogP of 0.84, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethanethiol is sourced from PubChem (CID 160845424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).