ethane-1,2-dithiol;ethanol;propane

C7H20OS2 — CID 90729745

IUPACethane-1,2-dithiol;ethanol;propane
SMILESCCC.CCO.SCCS
InChIInChI=1S/C3H8.C2H6O.C2H6S2/c1-3-2;1-2-3;3-1-2-4/h3H2,1-2H3;3H,2H2,1H3;3-4H,1-2H2
InChIKeyFRFSRJSUFWQNHA-UHFFFAOYSA-N
MW184.37 g/mol
LogP2.26
Rot. Bonds1

About ethane-1,2-dithiol;ethanol;propane

ethane-1,2-dithiol;ethanol;propane (PubChem CID 90729745) has the molecular formula C7H20OS2 and a molecular weight of 184.37 g/mol. Its IUPAC name is ethane-1,2-dithiol;ethanol;propane.

Molecular Properties

Compound Nameethane-1,2-dithiol;ethanol;propane
PubChem CID90729745
Molecular FormulaC7H20OS2
Molecular Weight184.37 g/mol
Exact Mass184.10
IUPAC Nameethane-1,2-dithiol;ethanol;propane
SMILESCCC.CCO.SCCS
InChIInChI=1S/C3H8.C2H6O.C2H6S2/c1-3-2;1-2-3;3-1-2-4/h3H2,1-2H3;3H,2H2,1H3;3-4H,1-2H2
InChIKeyFRFSRJSUFWQNHA-UHFFFAOYSA-N
XLogP2.26
TPSA20.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.37
LogP ≤ 52.26
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

ethanol;propane
CID 158736248
ethane-1,2-diol;hexakis(ethane-1,2-dithiol)
CID 22619653
ethane-1,2-dithiol;propane-1-thiol
CID 161052956
ethanol;titanium
CID 25200198
ethanol;heptahydrate
CID 57434370
ethanol;methanol
CID 157119827
ethanol;stibane
CID 170920077
ethanol;tin(2+)
CID 162004830
ethanol;phosphane
CID 159788730
ethanol;hydron
CID 174459614
ethanol iodide
CID 22987629
azane;ethanol
CID 173204929

Frequently Asked Questions

What is the IUPAC name of ethane-1,2-dithiol;ethanol;propane?
The IUPAC name of ethane-1,2-dithiol;ethanol;propane (CID 90729745) is ethane-1,2-dithiol;ethanol;propane.
What is the SMILES notation for ethane-1,2-dithiol;ethanol;propane?
The canonical SMILES for ethane-1,2-dithiol;ethanol;propane is CCC.CCO.SCCS.
What is the InChIKey of ethane-1,2-dithiol;ethanol;propane?
The InChIKey is FRFSRJSUFWQNHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8.C2H6O.C2H6S2/c1-3-2;1-2-3;3-1-2-4/h3H2,1-2H3;3H,2H2,1H3;3-4H,1-2H2.
What are the key properties of ethane-1,2-dithiol;ethanol;propane?
ethane-1,2-dithiol;ethanol;propane has a molecular weight of 184.37 g/mol, XLogP of 2.26, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-dithiol;ethanol;propane is sourced from PubChem (CID 90729745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).