(E)-1-methylsulfanylbut-2-ene

C5H10S — CID 5364390

IUPAC(E)-1-methylsulfanylbut-2-ene
SMILESC/C=C/CSC
InChIInChI=1S/C5H10S/c1-3-4-5-6-2/h3-4H,5H2,1-2H3/b4-3+
InChIKeyQPUBNJBEYGHVGN-ONEGZZNKSA-N
MW102.20 g/mol
LogP1.93
Rot. Bonds2

About (E)-1-methylsulfanylbut-2-ene

(E)-1-methylsulfanylbut-2-ene (PubChem CID 5364390) has the molecular formula C5H10S and a molecular weight of 102.20 g/mol. Its IUPAC name is (E)-1-methylsulfanylbut-2-ene.

Molecular Properties

Compound Name(E)-1-methylsulfanylbut-2-ene
PubChem CID5364390
Molecular FormulaC5H10S
Molecular Weight102.20 g/mol
Exact Mass102.05
IUPAC Name(E)-1-methylsulfanylbut-2-ene
SMILESC/C=C/CSC
InChIInChI=1S/C5H10S/c1-3-4-5-6-2/h3-4H,5H2,1-2H3/b4-3+
InChIKeyQPUBNJBEYGHVGN-ONEGZZNKSA-N
XLogP1.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.20
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (E)-1-methylsulfanylbut-2-ene?
The IUPAC name of (E)-1-methylsulfanylbut-2-ene (CID 5364390) is (E)-1-methylsulfanylbut-2-ene.
What is the SMILES notation for (E)-1-methylsulfanylbut-2-ene?
The canonical SMILES for (E)-1-methylsulfanylbut-2-ene is C/C=C/CSC.
What is the InChIKey of (E)-1-methylsulfanylbut-2-ene?
The InChIKey is QPUBNJBEYGHVGN-ONEGZZNKSA-N. The full InChI is InChI=1S/C5H10S/c1-3-4-5-6-2/h3-4H,5H2,1-2H3/b4-3+.
What are the key properties of (E)-1-methylsulfanylbut-2-ene?
(E)-1-methylsulfanylbut-2-ene has a molecular weight of 102.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-methylsulfanylbut-2-ene is sourced from PubChem (CID 5364390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).