2-methyl-1-(2-methylprop-2-enylsulfanyl)propane

C8H16S — CID 13356818

IUPAC2-methyl-1-(2-methylprop-2-enylsulfanyl)propane
SMILESC=C(C)CSCC(C)C
InChIInChI=1S/C8H16S/c1-7(2)5-9-6-8(3)4/h8H,1,5-6H2,2-4H3
InChIKeyPJCVARFUTPYNBN-UHFFFAOYSA-N
MW144.28 g/mol
LogP2.95
Rot. Bonds4

About 2-methyl-1-(2-methylprop-2-enylsulfanyl)propane

2-methyl-1-(2-methylprop-2-enylsulfanyl)propane (PubChem CID 13356818) has the molecular formula C8H16S and a molecular weight of 144.28 g/mol. Its IUPAC name is 2-methyl-1-(2-methylprop-2-enylsulfanyl)propane.

Molecular Properties

Compound Name2-methyl-1-(2-methylprop-2-enylsulfanyl)propane
PubChem CID13356818
Molecular FormulaC8H16S
Molecular Weight144.28 g/mol
Exact Mass144.10
IUPAC Name2-methyl-1-(2-methylprop-2-enylsulfanyl)propane
SMILESC=C(C)CSCC(C)C
InChIInChI=1S/C8H16S/c1-7(2)5-9-6-8(3)4/h8H,1,5-6H2,2-4H3
InChIKeyPJCVARFUTPYNBN-UHFFFAOYSA-N
XLogP2.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.28
LogP ≤ 52.95
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-1-(2-methylprop-2-enylsulfanyl)propane?
The IUPAC name of 2-methyl-1-(2-methylprop-2-enylsulfanyl)propane (CID 13356818) is 2-methyl-1-(2-methylprop-2-enylsulfanyl)propane.
What is the SMILES notation for 2-methyl-1-(2-methylprop-2-enylsulfanyl)propane?
The canonical SMILES for 2-methyl-1-(2-methylprop-2-enylsulfanyl)propane is C=C(C)CSCC(C)C.
What is the InChIKey of 2-methyl-1-(2-methylprop-2-enylsulfanyl)propane?
The InChIKey is PJCVARFUTPYNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16S/c1-7(2)5-9-6-8(3)4/h8H,1,5-6H2,2-4H3.
What are the key properties of 2-methyl-1-(2-methylprop-2-enylsulfanyl)propane?
2-methyl-1-(2-methylprop-2-enylsulfanyl)propane has a molecular weight of 144.28 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(2-methylprop-2-enylsulfanyl)propane is sourced from PubChem (CID 13356818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).