2-methyl-7-methylidene-1,5-dithiocane

C8H14S2 — CID 59831058

IUPAC2-methyl-7-methylidene-1,5-dithiocane
SMILESC=C1CSCCC(C)SC1
InChIInChI=1S/C8H14S2/c1-7-5-9-4-3-8(2)10-6-7/h8H,1,3-6H2,2H3
InChIKeyMXKCBUFITHGGMJ-UHFFFAOYSA-N
MW174.33 g/mol
LogP2.80
Rot. Bonds

About 2-methyl-7-methylidene-1,5-dithiocane

2-methyl-7-methylidene-1,5-dithiocane (PubChem CID 59831058) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 2-methyl-7-methylidene-1,5-dithiocane.

Molecular Properties

Compound Name2-methyl-7-methylidene-1,5-dithiocane
PubChem CID59831058
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name2-methyl-7-methylidene-1,5-dithiocane
SMILESC=C1CSCCC(C)SC1
InChIInChI=1S/C8H14S2/c1-7-5-9-4-3-8(2)10-6-7/h8H,1,3-6H2,2H3
InChIKeyMXKCBUFITHGGMJ-UHFFFAOYSA-N
XLogP2.80
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-7-methylidene-1,5-dithiocane?
The IUPAC name of 2-methyl-7-methylidene-1,5-dithiocane (CID 59831058) is 2-methyl-7-methylidene-1,5-dithiocane.
What is the SMILES notation for 2-methyl-7-methylidene-1,5-dithiocane?
The canonical SMILES for 2-methyl-7-methylidene-1,5-dithiocane is C=C1CSCCC(C)SC1.
What is the InChIKey of 2-methyl-7-methylidene-1,5-dithiocane?
The InChIKey is MXKCBUFITHGGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-7-5-9-4-3-8(2)10-6-7/h8H,1,3-6H2,2H3.
What are the key properties of 2-methyl-7-methylidene-1,5-dithiocane?
2-methyl-7-methylidene-1,5-dithiocane has a molecular weight of 174.33 g/mol, XLogP of 2.80, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-7-methylidene-1,5-dithiocane is sourced from PubChem (CID 59831058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).