4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane

C8H14S6 — CID 18624302

IUPAC4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane
SMILESCC1CSSC2(CS1)SSCC(C)S2
InChIInChI=1S/C8H14S6/c1-6-3-10-13-8(5-9-6)12-7(2)4-11-14-8/h6-7H,3-5H2,1-2H3
InChIKeySNAHXBFFPNISFT-UHFFFAOYSA-N
MW302.60 g/mol
LogP4.67
Rot. Bonds

About 4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane

4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane (PubChem CID 18624302) has the molecular formula C8H14S6 and a molecular weight of 302.60 g/mol. Its IUPAC name is 4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane.

Molecular Properties

Compound Name4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane
PubChem CID18624302
Molecular FormulaC8H14S6
Molecular Weight302.60 g/mol
Exact Mass301.94
IUPAC Name4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane
SMILESCC1CSSC2(CS1)SSCC(C)S2
InChIInChI=1S/C8H14S6/c1-6-3-10-13-8(5-9-6)12-7(2)4-11-14-8/h6-7H,3-5H2,1-2H3
InChIKeySNAHXBFFPNISFT-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.60
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane?
The IUPAC name of 4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane (CID 18624302) is 4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane.
What is the SMILES notation for 4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane?
The canonical SMILES for 4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane is CC1CSSC2(CS1)SSCC(C)S2.
What is the InChIKey of 4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane?
The InChIKey is SNAHXBFFPNISFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S6/c1-6-3-10-13-8(5-9-6)12-7(2)4-11-14-8/h6-7H,3-5H2,1-2H3.
What are the key properties of 4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane?
4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane has a molecular weight of 302.60 g/mol, XLogP of 4.67, 0 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,9-dimethyl-1,2,5,8,11,12-hexathiaspiro[5.6]dodecane is sourced from PubChem (CID 18624302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).