2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene

C8H14S — CID 145079564

IUPAC2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene
SMILESC=C(C)SC(C)C(=C)C
InChIInChI=1S/C8H14S/c1-6(2)8(5)9-7(3)4/h8H,1,3H2,2,4-5H3
InChIKeyBQSGOHIASMHENY-UHFFFAOYSA-N
MW142.27 g/mol
LogP3.22
Rot. Bonds3

About 2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene

2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene (PubChem CID 145079564) has the molecular formula C8H14S and a molecular weight of 142.27 g/mol. Its IUPAC name is 2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene.

Molecular Properties

Compound Name2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene
PubChem CID145079564
Molecular FormulaC8H14S
Molecular Weight142.27 g/mol
Exact Mass142.08
IUPAC Name2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene
SMILESC=C(C)SC(C)C(=C)C
InChIInChI=1S/C8H14S/c1-6(2)8(5)9-7(3)4/h8H,1,3H2,2,4-5H3
InChIKeyBQSGOHIASMHENY-UHFFFAOYSA-N
XLogP3.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.27
LogP ≤ 53.22
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 2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene?
The IUPAC name of 2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene (CID 145079564) is 2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene.
What is the SMILES notation for 2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene?
The canonical SMILES for 2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene is C=C(C)SC(C)C(=C)C.
What is the InChIKey of 2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene?
The InChIKey is BQSGOHIASMHENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S/c1-6(2)8(5)9-7(3)4/h8H,1,3H2,2,4-5H3.
What are the key properties of 2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene?
2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene has a molecular weight of 142.27 g/mol, XLogP of 3.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-1-en-2-ylsulfanylbut-1-ene is sourced from PubChem (CID 145079564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).