1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane

C8H12S4 — CID 616815

IUPAC1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane
SMILESCC12CC3(C)SC(CC(S1)S3)S2
InChIInChI=1S/C8H12S4/c1-7-4-8(2)11-5(9-7)3-6(10-7)12-8/h5-6H,3-4H2,1-2H3
InChIKeyIBEPNHFPTGVAMD-UHFFFAOYSA-N
MW236.45 g/mol
LogP3.82
Rot. Bonds

About 1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane

1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane (PubChem CID 616815) has the molecular formula C8H12S4 and a molecular weight of 236.45 g/mol. Its IUPAC name is 1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane.

Molecular Properties

Compound Name1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane
PubChem CID616815
Molecular FormulaC8H12S4
Molecular Weight236.45 g/mol
Exact Mass235.98
IUPAC Name1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane
SMILESCC12CC3(C)SC(CC(S1)S3)S2
InChIInChI=1S/C8H12S4/c1-7-4-8(2)11-5(9-7)3-6(10-7)12-8/h5-6H,3-4H2,1-2H3
InChIKeyIBEPNHFPTGVAMD-UHFFFAOYSA-N
XLogP3.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.45
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane?
The IUPAC name of 1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane (CID 616815) is 1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane.
What is the SMILES notation for 1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane?
The canonical SMILES for 1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane is CC12CC3(C)SC(CC(S1)S3)S2.
What is the InChIKey of 1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane?
The InChIKey is IBEPNHFPTGVAMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S4/c1-7-4-8(2)11-5(9-7)3-6(10-7)12-8/h5-6H,3-4H2,1-2H3.
What are the key properties of 1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane?
1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane has a molecular weight of 236.45 g/mol, XLogP of 3.82, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-2,4,6,8-tetrathiatricyclo[3.3.1.13,7]decane is sourced from PubChem (CID 616815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).