2-methylprop-2-enyl 2-methylpropanedithioate

C8H14S2 — CID 10241293

IUPAC2-methylprop-2-enyl 2-methylpropanedithioate
SMILESC=C(C)CSC(=S)C(C)C
InChIInChI=1S/C8H14S2/c1-6(2)5-10-8(9)7(3)4/h7H,1,5H2,2-4H3
InChIKeyDOYWROFGTJVXJM-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.28
Rot. Bonds3

About 2-methylprop-2-enyl 2-methylpropanedithioate

2-methylprop-2-enyl 2-methylpropanedithioate (PubChem CID 10241293) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 2-methylprop-2-enyl 2-methylpropanedithioate.

Molecular Properties

Compound Name2-methylprop-2-enyl 2-methylpropanedithioate
PubChem CID10241293
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name2-methylprop-2-enyl 2-methylpropanedithioate
SMILESC=C(C)CSC(=S)C(C)C
InChIInChI=1S/C8H14S2/c1-6(2)5-10-8(9)7(3)4/h7H,1,5H2,2-4H3
InChIKeyDOYWROFGTJVXJM-UHFFFAOYSA-N
XLogP3.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Methallyl sulfide
CID 560212
3-Ethylthio-2-methyl-1-propene
CID 142218
2-Methyl-7-methylidene-1,5-dithiocane
CID 59831058
3-(2-Methylprop-1-enylthio)-2-methylprop-1-ene
CID 588319
3-Methylsulfanyl-2-(methylsulfanylmethyl)prop-1-ene
CID 13349598
2-Methyl-3-propan-2-ylsulfanylprop-1-ene
CID 13356816
Isobutyl 2-methyl-2-propenyl sulfide
CID 13356818
2-Methyl-1-(2-methylprop-2-enylsulfanyl)-1-sulfinylpropane
CID 14939461
1,2-Bis(isobutylthio)propene
CID 129803627
2-Methylprop-2-enyl dithiopropanoate
CID 553018
2-Methyl-prop-1-enyl dithiopropanoate
CID 553212
Allyl dithioisobutyrate
CID 559977

Frequently Asked Questions

What is the IUPAC name of 2-methylprop-2-enyl 2-methylpropanedithioate?
The IUPAC name of 2-methylprop-2-enyl 2-methylpropanedithioate (CID 10241293) is 2-methylprop-2-enyl 2-methylpropanedithioate.
What is the SMILES notation for 2-methylprop-2-enyl 2-methylpropanedithioate?
The canonical SMILES for 2-methylprop-2-enyl 2-methylpropanedithioate is C=C(C)CSC(=S)C(C)C.
What is the InChIKey of 2-methylprop-2-enyl 2-methylpropanedithioate?
The InChIKey is DOYWROFGTJVXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-6(2)5-10-8(9)7(3)4/h7H,1,5H2,2-4H3.
What are the key properties of 2-methylprop-2-enyl 2-methylpropanedithioate?
2-methylprop-2-enyl 2-methylpropanedithioate has a molecular weight of 174.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylprop-2-enyl 2-methylpropanedithioate is sourced from PubChem (CID 10241293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).