(E)-1,2-bis(ethylsulfanyl)ethene

C6H12S2 — CID 5372988

IUPAC(E)-1,2-bis(ethylsulfanyl)ethene
SMILESCCS/C=C/SCC
InChIInChI=1S/C6H12S2/c1-3-7-5-6-8-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyDLMKAVFNJZJSNR-AATRIKPKSA-N
MW148.30 g/mol
LogP2.96
Rot. Bonds4

About (E)-1,2-bis(ethylsulfanyl)ethene

(E)-1,2-bis(ethylsulfanyl)ethene (PubChem CID 5372988) has the molecular formula C6H12S2 and a molecular weight of 148.30 g/mol. Its IUPAC name is (E)-1,2-bis(ethylsulfanyl)ethene.

Molecular Properties

Compound Name(E)-1,2-bis(ethylsulfanyl)ethene
PubChem CID5372988
Molecular FormulaC6H12S2
Molecular Weight148.30 g/mol
Exact Mass148.04
IUPAC Name(E)-1,2-bis(ethylsulfanyl)ethene
SMILESCCS/C=C/SCC
InChIInChI=1S/C6H12S2/c1-3-7-5-6-8-4-2/h5-6H,3-4H2,1-2H3/b6-5+
InChIKeyDLMKAVFNJZJSNR-AATRIKPKSA-N
XLogP2.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.30
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-1,2-bis(ethylsulfanyl)ethene?
The IUPAC name of (E)-1,2-bis(ethylsulfanyl)ethene (CID 5372988) is (E)-1,2-bis(ethylsulfanyl)ethene.
What is the SMILES notation for (E)-1,2-bis(ethylsulfanyl)ethene?
The canonical SMILES for (E)-1,2-bis(ethylsulfanyl)ethene is CCS/C=C/SCC.
What is the InChIKey of (E)-1,2-bis(ethylsulfanyl)ethene?
The InChIKey is DLMKAVFNJZJSNR-AATRIKPKSA-N. The full InChI is InChI=1S/C6H12S2/c1-3-7-5-6-8-4-2/h5-6H,3-4H2,1-2H3/b6-5+.
What are the key properties of (E)-1,2-bis(ethylsulfanyl)ethene?
(E)-1,2-bis(ethylsulfanyl)ethene has a molecular weight of 148.30 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis(ethylsulfanyl)ethene is sourced from PubChem (CID 5372988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).