2-methyl-3-propan-2-ylsulfanylprop-1-ene

C7H14S — CID 13356816

IUPAC2-methyl-3-propan-2-ylsulfanylprop-1-ene
SMILESC=C(C)CSC(C)C
InChIInChI=1S/C7H14S/c1-6(2)5-8-7(3)4/h7H,1,5H2,2-4H3
InChIKeyLZIOZRRUYNYXBE-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.70
Rot. Bonds3

About 2-methyl-3-propan-2-ylsulfanylprop-1-ene

2-methyl-3-propan-2-ylsulfanylprop-1-ene (PubChem CID 13356816) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 2-methyl-3-propan-2-ylsulfanylprop-1-ene.

Molecular Properties

Compound Name2-methyl-3-propan-2-ylsulfanylprop-1-ene
PubChem CID13356816
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name2-methyl-3-propan-2-ylsulfanylprop-1-ene
SMILESC=C(C)CSC(C)C
InChIInChI=1S/C7H14S/c1-6(2)5-8-7(3)4/h7H,1,5H2,2-4H3
InChIKeyLZIOZRRUYNYXBE-UHFFFAOYSA-N
XLogP2.70
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.70
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-propan-2-ylsulfanylprop-1-ene?
The IUPAC name of 2-methyl-3-propan-2-ylsulfanylprop-1-ene (CID 13356816) is 2-methyl-3-propan-2-ylsulfanylprop-1-ene.
What is the SMILES notation for 2-methyl-3-propan-2-ylsulfanylprop-1-ene?
The canonical SMILES for 2-methyl-3-propan-2-ylsulfanylprop-1-ene is C=C(C)CSC(C)C.
What is the InChIKey of 2-methyl-3-propan-2-ylsulfanylprop-1-ene?
The InChIKey is LZIOZRRUYNYXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-6(2)5-8-7(3)4/h7H,1,5H2,2-4H3.
What are the key properties of 2-methyl-3-propan-2-ylsulfanylprop-1-ene?
2-methyl-3-propan-2-ylsulfanylprop-1-ene has a molecular weight of 130.26 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-propan-2-ylsulfanylprop-1-ene is sourced from PubChem (CID 13356816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).