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

C6H12S — CID 5362832

IUPAC(E)-2-methyl-1-methylsulfanylbut-2-ene
SMILESC/C=C(\C)CSC
InChIInChI=1S/C6H12S/c1-4-6(2)5-7-3/h4H,5H2,1-3H3/b6-4+
InChIKeyPBWZEERIWACABP-GQCTYLIASA-N
MW116.23 g/mol
LogP2.32
Rot. Bonds2

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

(E)-2-methyl-1-methylsulfanylbut-2-ene (PubChem CID 5362832) has the molecular formula C6H12S and a molecular weight of 116.23 g/mol. Its IUPAC name is (E)-2-methyl-1-methylsulfanylbut-2-ene.

Molecular Properties

Compound Name(E)-2-methyl-1-methylsulfanylbut-2-ene
PubChem CID5362832
Molecular FormulaC6H12S
Molecular Weight116.23 g/mol
Exact Mass116.07
IUPAC Name(E)-2-methyl-1-methylsulfanylbut-2-ene
SMILESC/C=C(\C)CSC
InChIInChI=1S/C6H12S/c1-4-6(2)5-7-3/h4H,5H2,1-3H3/b6-4+
InChIKeyPBWZEERIWACABP-GQCTYLIASA-N
XLogP2.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.23
LogP ≤ 52.32
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)-2-methyl-1-methylsulfanylbut-2-ene?
The IUPAC name of (E)-2-methyl-1-methylsulfanylbut-2-ene (CID 5362832) is (E)-2-methyl-1-methylsulfanylbut-2-ene.
What is the SMILES notation for (E)-2-methyl-1-methylsulfanylbut-2-ene?
The canonical SMILES for (E)-2-methyl-1-methylsulfanylbut-2-ene is C/C=C(\C)CSC.
What is the InChIKey of (E)-2-methyl-1-methylsulfanylbut-2-ene?
The InChIKey is PBWZEERIWACABP-GQCTYLIASA-N. The full InChI is InChI=1S/C6H12S/c1-4-6(2)5-7-3/h4H,5H2,1-3H3/b6-4+.
What are the key properties of (E)-2-methyl-1-methylsulfanylbut-2-ene?
(E)-2-methyl-1-methylsulfanylbut-2-ene has a molecular weight of 116.23 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-methyl-1-methylsulfanylbut-2-ene is sourced from PubChem (CID 5362832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).