4,4-bis(ethylsulfanyl)but-3-en-2-ol

C8H16OS2 — CID 53260355

IUPAC4,4-bis(ethylsulfanyl)but-3-en-2-ol
SMILESCCSC(=CC(C)O)SCC
InChIInChI=1S/C8H16OS2/c1-4-10-8(11-5-2)6-7(3)9/h6-7,9H,4-5H2,1-3H3
InChIKeyURFKTHAUEPPATL-UHFFFAOYSA-N
MW192.35 g/mol
LogP2.71
Rot. Bonds5

About 4,4-bis(ethylsulfanyl)but-3-en-2-ol

4,4-bis(ethylsulfanyl)but-3-en-2-ol (PubChem CID 53260355) has the molecular formula C8H16OS2 and a molecular weight of 192.35 g/mol. Its IUPAC name is 4,4-bis(ethylsulfanyl)but-3-en-2-ol.

Molecular Properties

Compound Name4,4-bis(ethylsulfanyl)but-3-en-2-ol
PubChem CID53260355
Molecular FormulaC8H16OS2
Molecular Weight192.35 g/mol
Exact Mass192.06
IUPAC Name4,4-bis(ethylsulfanyl)but-3-en-2-ol
SMILESCCSC(=CC(C)O)SCC
InChIInChI=1S/C8H16OS2/c1-4-10-8(11-5-2)6-7(3)9/h6-7,9H,4-5H2,1-3H3
InChIKeyURFKTHAUEPPATL-UHFFFAOYSA-N
XLogP2.71
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(ethylsulfanyl)but-3-en-2-ol?
The IUPAC name of 4,4-bis(ethylsulfanyl)but-3-en-2-ol (CID 53260355) is 4,4-bis(ethylsulfanyl)but-3-en-2-ol.
What is the SMILES notation for 4,4-bis(ethylsulfanyl)but-3-en-2-ol?
The canonical SMILES for 4,4-bis(ethylsulfanyl)but-3-en-2-ol is CCSC(=CC(C)O)SCC.
What is the InChIKey of 4,4-bis(ethylsulfanyl)but-3-en-2-ol?
The InChIKey is URFKTHAUEPPATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16OS2/c1-4-10-8(11-5-2)6-7(3)9/h6-7,9H,4-5H2,1-3H3.
What are the key properties of 4,4-bis(ethylsulfanyl)but-3-en-2-ol?
4,4-bis(ethylsulfanyl)but-3-en-2-ol has a molecular weight of 192.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(ethylsulfanyl)but-3-en-2-ol is sourced from PubChem (CID 53260355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).