2-methyl-1-prop-2-enylsulfanylpropane

C7H14S — CID 6429349

IUPAC2-methyl-1-prop-2-enylsulfanylpropane
SMILESC=CCSCC(C)C
InChIInChI=1S/C7H14S/c1-4-5-8-6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyPKMCIJWWZAHYQG-UHFFFAOYSA-N
MW130.26 g/mol
LogP2.56
Rot. Bonds4

About 2-methyl-1-prop-2-enylsulfanylpropane

2-methyl-1-prop-2-enylsulfanylpropane (PubChem CID 6429349) has the molecular formula C7H14S and a molecular weight of 130.26 g/mol. Its IUPAC name is 2-methyl-1-prop-2-enylsulfanylpropane.

Molecular Properties

Compound Name2-methyl-1-prop-2-enylsulfanylpropane
PubChem CID6429349
Molecular FormulaC7H14S
Molecular Weight130.26 g/mol
Exact Mass130.08
IUPAC Name2-methyl-1-prop-2-enylsulfanylpropane
SMILESC=CCSCC(C)C
InChIInChI=1S/C7H14S/c1-4-5-8-6-7(2)3/h4,7H,1,5-6H2,2-3H3
InChIKeyPKMCIJWWZAHYQG-UHFFFAOYSA-N
XLogP2.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.26
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-prop-2-enylsulfanylpropane?
The IUPAC name of 2-methyl-1-prop-2-enylsulfanylpropane (CID 6429349) is 2-methyl-1-prop-2-enylsulfanylpropane.
What is the SMILES notation for 2-methyl-1-prop-2-enylsulfanylpropane?
The canonical SMILES for 2-methyl-1-prop-2-enylsulfanylpropane is C=CCSCC(C)C.
What is the InChIKey of 2-methyl-1-prop-2-enylsulfanylpropane?
The InChIKey is PKMCIJWWZAHYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14S/c1-4-5-8-6-7(2)3/h4,7H,1,5-6H2,2-3H3.
What are the key properties of 2-methyl-1-prop-2-enylsulfanylpropane?
2-methyl-1-prop-2-enylsulfanylpropane has a molecular weight of 130.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-prop-2-enylsulfanylpropane is sourced from PubChem (CID 6429349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).