2-methyl-3-(methyldisulfanyl)prop-1-ene

C5H10S2 — CID 86111663

IUPAC2-methyl-3-(methyldisulfanyl)prop-1-ene
SMILESC=C(C)CSSC
InChIInChI=1S/C5H10S2/c1-5(2)4-7-6-3/h1,4H2,2-3H3
InChIKeyAPVNCPNNXQGXBE-UHFFFAOYSA-N
MW134.27 g/mol
LogP2.57
Rot. Bonds3

About 2-methyl-3-(methyldisulfanyl)prop-1-ene

2-methyl-3-(methyldisulfanyl)prop-1-ene (PubChem CID 86111663) has the molecular formula C5H10S2 and a molecular weight of 134.27 g/mol. Its IUPAC name is 2-methyl-3-(methyldisulfanyl)prop-1-ene.

Molecular Properties

Compound Name2-methyl-3-(methyldisulfanyl)prop-1-ene
PubChem CID86111663
Molecular FormulaC5H10S2
Molecular Weight134.27 g/mol
Exact Mass134.02
IUPAC Name2-methyl-3-(methyldisulfanyl)prop-1-ene
SMILESC=C(C)CSSC
InChIInChI=1S/C5H10S2/c1-5(2)4-7-6-3/h1,4H2,2-3H3
InChIKeyAPVNCPNNXQGXBE-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.27
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', '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-3-(methyldisulfanyl)prop-1-ene?
The IUPAC name of 2-methyl-3-(methyldisulfanyl)prop-1-ene (CID 86111663) is 2-methyl-3-(methyldisulfanyl)prop-1-ene.
What is the SMILES notation for 2-methyl-3-(methyldisulfanyl)prop-1-ene?
The canonical SMILES for 2-methyl-3-(methyldisulfanyl)prop-1-ene is C=C(C)CSSC.
What is the InChIKey of 2-methyl-3-(methyldisulfanyl)prop-1-ene?
The InChIKey is APVNCPNNXQGXBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10S2/c1-5(2)4-7-6-3/h1,4H2,2-3H3.
What are the key properties of 2-methyl-3-(methyldisulfanyl)prop-1-ene?
2-methyl-3-(methyldisulfanyl)prop-1-ene has a molecular weight of 134.27 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methyldisulfanyl)prop-1-ene is sourced from PubChem (CID 86111663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).