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

C4H8S2 — CID 5370886

IUPAC(E)-1,2-bis(methylsulfanyl)ethene
SMILESCS/C=C/SC
InChIInChI=1S/C4H8S2/c1-5-3-4-6-2/h3-4H,1-2H3/b4-3+
InChIKeyMRWRXEYAMMSGNE-ONEGZZNKSA-N
MW120.24 g/mol
LogP2.18
Rot. Bonds2

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

(E)-1,2-bis(methylsulfanyl)ethene (PubChem CID 5370886) has the molecular formula C4H8S2 and a molecular weight of 120.24 g/mol. Its IUPAC name is (E)-1,2-bis(methylsulfanyl)ethene.

Molecular Properties

Compound Name(E)-1,2-bis(methylsulfanyl)ethene
PubChem CID5370886
Molecular FormulaC4H8S2
Molecular Weight120.24 g/mol
Exact Mass120.01
IUPAC Name(E)-1,2-bis(methylsulfanyl)ethene
SMILESCS/C=C/SC
InChIInChI=1S/C4H8S2/c1-5-3-4-6-2/h3-4H,1-2H3/b4-3+
InChIKeyMRWRXEYAMMSGNE-ONEGZZNKSA-N
XLogP2.18
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.24
LogP ≤ 52.18
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(methylsulfanyl)ethene?
The IUPAC name of (E)-1,2-bis(methylsulfanyl)ethene (CID 5370886) is (E)-1,2-bis(methylsulfanyl)ethene.
What is the SMILES notation for (E)-1,2-bis(methylsulfanyl)ethene?
The canonical SMILES for (E)-1,2-bis(methylsulfanyl)ethene is CS/C=C/SC.
What is the InChIKey of (E)-1,2-bis(methylsulfanyl)ethene?
The InChIKey is MRWRXEYAMMSGNE-ONEGZZNKSA-N. The full InChI is InChI=1S/C4H8S2/c1-5-3-4-6-2/h3-4H,1-2H3/b4-3+.
What are the key properties of (E)-1,2-bis(methylsulfanyl)ethene?
(E)-1,2-bis(methylsulfanyl)ethene has a molecular weight of 120.24 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,2-bis(methylsulfanyl)ethene is sourced from PubChem (CID 5370886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).