ethylsulfanylethane

C8H20S2 — CID 87778739

IUPACethylsulfanylethane
SMILESCCSCC.CCSCC
InChIInChI=1S/2C4H10S/c2*1-3-5-4-2/h2*3-4H2,1-2H3
InChIKeyIBCMFDZVVQKDST-UHFFFAOYSA-N
MW180.38 g/mol
LogP3.52
Rot. Bonds4

About ethylsulfanylethane

ethylsulfanylethane (PubChem CID 87778739) has the molecular formula C8H20S2 and a molecular weight of 180.38 g/mol. Its IUPAC name is ethylsulfanylethane.

Molecular Properties

Compound Nameethylsulfanylethane
PubChem CID87778739
Molecular FormulaC8H20S2
Molecular Weight180.38 g/mol
Exact Mass180.10
IUPAC Nameethylsulfanylethane
SMILESCCSCC.CCSCC
InChIInChI=1S/2C4H10S/c2*1-3-5-4-2/h2*3-4H2,1-2H3
InChIKeyIBCMFDZVVQKDST-UHFFFAOYSA-N
XLogP3.52
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.38
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethylsulfanylethane?
The IUPAC name of ethylsulfanylethane (CID 87778739) is ethylsulfanylethane.
What is the SMILES notation for ethylsulfanylethane?
The canonical SMILES for ethylsulfanylethane is CCSCC.CCSCC.
What is the InChIKey of ethylsulfanylethane?
The InChIKey is IBCMFDZVVQKDST-UHFFFAOYSA-N. The full InChI is InChI=1S/2C4H10S/c2*1-3-5-4-2/h2*3-4H2,1-2H3.
What are the key properties of ethylsulfanylethane?
ethylsulfanylethane has a molecular weight of 180.38 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethylsulfanylethane is sourced from PubChem (CID 87778739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).