methyl 2-methylprop-2-enedithioate

C5H8S2 — CID 15178428

IUPACmethyl 2-methylprop-2-enedithioate
SMILESC=C(C)C(=S)SC
InChIInChI=1S/C5H8S2/c1-4(2)5(6)7-3/h1H2,2-3H3
InChIKeyMDDSGAUMICCYIB-UHFFFAOYSA-N
MW132.25 g/mol
LogP2.25
Rot. Bonds1

About methyl 2-methylprop-2-enedithioate

methyl 2-methylprop-2-enedithioate (PubChem CID 15178428) has the molecular formula C5H8S2 and a molecular weight of 132.25 g/mol. Its IUPAC name is methyl 2-methylprop-2-enedithioate.

Molecular Properties

Compound Namemethyl 2-methylprop-2-enedithioate
PubChem CID15178428
Molecular FormulaC5H8S2
Molecular Weight132.25 g/mol
Exact Mass132.01
IUPAC Namemethyl 2-methylprop-2-enedithioate
SMILESC=C(C)C(=S)SC
InChIInChI=1S/C5H8S2/c1-4(2)5(6)7-3/h1H2,2-3H3
InChIKeyMDDSGAUMICCYIB-UHFFFAOYSA-N
XLogP2.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.25
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methylprop-2-enedithioate?
The IUPAC name of methyl 2-methylprop-2-enedithioate (CID 15178428) is methyl 2-methylprop-2-enedithioate.
What is the SMILES notation for methyl 2-methylprop-2-enedithioate?
The canonical SMILES for methyl 2-methylprop-2-enedithioate is C=C(C)C(=S)SC.
What is the InChIKey of methyl 2-methylprop-2-enedithioate?
The InChIKey is MDDSGAUMICCYIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8S2/c1-4(2)5(6)7-3/h1H2,2-3H3.
What are the key properties of methyl 2-methylprop-2-enedithioate?
methyl 2-methylprop-2-enedithioate has a molecular weight of 132.25 g/mol, XLogP of 2.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methylprop-2-enedithioate is sourced from PubChem (CID 15178428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).