ethylsulfanylethane;1-ethylsulfanylpropane

C9H22S2 — CID 91509545

IUPACethylsulfanylethane;1-ethylsulfanylpropane
SMILESCCCSCC.CCSCC
InChIInChI=1S/C5H12S.C4H10S/c1-3-5-6-4-2;1-3-5-4-2/h3-5H2,1-2H3;3-4H2,1-2H3
InChIKeyXWCRXFQTSBSHNK-UHFFFAOYSA-N
MW194.41 g/mol
LogP3.91
Rot. Bonds5

About ethylsulfanylethane;1-ethylsulfanylpropane

ethylsulfanylethane;1-ethylsulfanylpropane (PubChem CID 91509545) has the molecular formula C9H22S2 and a molecular weight of 194.41 g/mol. Its IUPAC name is ethylsulfanylethane;1-ethylsulfanylpropane.

Molecular Properties

Compound Nameethylsulfanylethane;1-ethylsulfanylpropane
PubChem CID91509545
Molecular FormulaC9H22S2
Molecular Weight194.41 g/mol
Exact Mass194.12
IUPAC Nameethylsulfanylethane;1-ethylsulfanylpropane
SMILESCCCSCC.CCSCC
InChIInChI=1S/C5H12S.C4H10S/c1-3-5-6-4-2;1-3-5-4-2/h3-5H2,1-2H3;3-4H2,1-2H3
InChIKeyXWCRXFQTSBSHNK-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.41
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethylsulfanyl-2-[2-[2-(2-ethylsulfanylethylsulfanyl)ethylsulfanyl]ethylsulfanyl]ethane
CID 121008102
ethylsulfanylethane;phosphane
CID 88694996
ethylsulfanylethane;propane
CID 159168091
ethylsulfanylethane;palladium;dichloride
CID 101326267
1-ethylsulfanyltetradecane
CID 20788610
1-ethylsulfanyldodecane
CID 534448
ethanol;1-propylsulfanylpropane
CID 175163753
chloro(propylsulfanylmethyl)phosphane
CID 170850903
CID 174755451
CID 174755451
1-propylsulfanylpropane;trichlorogallane
CID 139244115
3-propylsulfanylpropane-1,1-dithiol
CID 59449399
2-ethylsulfanylethanamine;hydrochloride
CID 3016870

Frequently Asked Questions

What is the IUPAC name of ethylsulfanylethane;1-ethylsulfanylpropane?
The IUPAC name of ethylsulfanylethane;1-ethylsulfanylpropane (CID 91509545) is ethylsulfanylethane;1-ethylsulfanylpropane.
What is the SMILES notation for ethylsulfanylethane;1-ethylsulfanylpropane?
The canonical SMILES for ethylsulfanylethane;1-ethylsulfanylpropane is CCCSCC.CCSCC.
What is the InChIKey of ethylsulfanylethane;1-ethylsulfanylpropane?
The InChIKey is XWCRXFQTSBSHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12S.C4H10S/c1-3-5-6-4-2;1-3-5-4-2/h3-5H2,1-2H3;3-4H2,1-2H3.
What are the key properties of ethylsulfanylethane;1-ethylsulfanylpropane?
ethylsulfanylethane;1-ethylsulfanylpropane has a molecular weight of 194.41 g/mol, XLogP of 3.91, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylethane;1-ethylsulfanylpropane is sourced from PubChem (CID 91509545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).