2-methyl-2-prop-2-enyl-1,3-dithiane

C8H14S2 — CID 12524549

IUPAC2-methyl-2-prop-2-enyl-1,3-dithiane
SMILESC=CCC1(C)SCCCS1
InChIInChI=1S/C8H14S2/c1-3-5-8(2)9-6-4-7-10-8/h3H,1,4-7H2,2H3
InChIKeyULZNPHNCLLVNCD-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.15
Rot. Bonds2

About 2-methyl-2-prop-2-enyl-1,3-dithiane

2-methyl-2-prop-2-enyl-1,3-dithiane (PubChem CID 12524549) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 2-methyl-2-prop-2-enyl-1,3-dithiane.

Molecular Properties

Compound Name2-methyl-2-prop-2-enyl-1,3-dithiane
PubChem CID12524549
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name2-methyl-2-prop-2-enyl-1,3-dithiane
SMILESC=CCC1(C)SCCCS1
InChIInChI=1S/C8H14S2/c1-3-5-8(2)9-6-4-7-10-8/h3H,1,4-7H2,2H3
InChIKeyULZNPHNCLLVNCD-UHFFFAOYSA-N
XLogP3.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-Methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene
CID 163192635
1,3-Dithiane, 2-(4-pentenyl)-
CID 4226111
1-(4-Methyl-4H-[1,3]dithiin-2-yl)-propane-2-thiol
CID 91750626
1,3-Dithiane, 2-pentylidene-
CID 9855688
2-Allyl-1,3-dithiane
CID 11073723
4-Methyl-2-[(1E)-1-propenyl]-4H-1,3-dithiine
CID 5367950
2-(Hex-5-en-1-yl)-1,3-dithiane
CID 13244445
2-[(E)-pent-1-enyl]-1,3-dithiane
CID 11041517
2-Butylidene-1,3-dithiane
CID 11745136
4-[(E)-but-2-enyl]sulfanyl-4-methylsulfanylpent-1-ene
CID 12401991
4-[(E)-but-2-enyl]sulfanyl-4-methylsulfanylhex-1-ene
CID 12401994
2-(2-Methylprop-2-en-1-yl)-1,3-dithiane
CID 12530061

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-prop-2-enyl-1,3-dithiane?
The IUPAC name of 2-methyl-2-prop-2-enyl-1,3-dithiane (CID 12524549) is 2-methyl-2-prop-2-enyl-1,3-dithiane.
What is the SMILES notation for 2-methyl-2-prop-2-enyl-1,3-dithiane?
The canonical SMILES for 2-methyl-2-prop-2-enyl-1,3-dithiane is C=CCC1(C)SCCCS1.
What is the InChIKey of 2-methyl-2-prop-2-enyl-1,3-dithiane?
The InChIKey is ULZNPHNCLLVNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-3-5-8(2)9-6-4-7-10-8/h3H,1,4-7H2,2H3.
What are the key properties of 2-methyl-2-prop-2-enyl-1,3-dithiane?
2-methyl-2-prop-2-enyl-1,3-dithiane has a molecular weight of 174.33 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-prop-2-enyl-1,3-dithiane is sourced from PubChem (CID 12524549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).