3,3,10,10-tetramethyldithiecane

C12H24S2 — CID 57298519

IUPAC3,3,10,10-tetramethyldithiecane
SMILESCC1(C)CCCCCCC(C)(C)SS1
InChIInChI=1S/C12H24S2/c1-11(2)9-7-5-6-8-10-12(3,4)14-13-11/h5-10H2,1-4H3
InChIKeyWCWQALFCZWIGDR-UHFFFAOYSA-N
MW232.46 g/mol
LogP5.28
Rot. Bonds

About 3,3,10,10-tetramethyldithiecane

3,3,10,10-tetramethyldithiecane (PubChem CID 57298519) has the molecular formula C12H24S2 and a molecular weight of 232.46 g/mol. Its IUPAC name is 3,3,10,10-tetramethyldithiecane.

Molecular Properties

Compound Name3,3,10,10-tetramethyldithiecane
PubChem CID57298519
Molecular FormulaC12H24S2
Molecular Weight232.46 g/mol
Exact Mass232.13
IUPAC Name3,3,10,10-tetramethyldithiecane
SMILESCC1(C)CCCCCCC(C)(C)SS1
InChIInChI=1S/C12H24S2/c1-11(2)9-7-5-6-8-10-12(3,4)14-13-11/h5-10H2,1-4H3
InChIKeyWCWQALFCZWIGDR-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500232.46
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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1,1-dimethylcyclohexane;methane
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azane;1,1-dimethylcyclohexane
CID 90411117
1-chloro-1-methylcyclotridecane
CID 71082065
cyclohexane-1,1-diol;methanol
CID 159463727
carbanide;cyclopentane;1,1-dimethylcyclohexane;zirconium(2+)
CID 162284828
1-fluoro-1-methylcycloheptane
CID 57055784
cerium;1-methylcyclohexan-1-ol
CID 146687678
1-methyl-1-[1-(1-methylcyclohexyl)cyclopentyl]cyclohexane
CID 91349498
3,3,6-trimethyldithiane
CID 142951856

Frequently Asked Questions

What is the IUPAC name of 3,3,10,10-tetramethyldithiecane?
The IUPAC name of 3,3,10,10-tetramethyldithiecane (CID 57298519) is 3,3,10,10-tetramethyldithiecane.
What is the SMILES notation for 3,3,10,10-tetramethyldithiecane?
The canonical SMILES for 3,3,10,10-tetramethyldithiecane is CC1(C)CCCCCCC(C)(C)SS1.
What is the InChIKey of 3,3,10,10-tetramethyldithiecane?
The InChIKey is WCWQALFCZWIGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24S2/c1-11(2)9-7-5-6-8-10-12(3,4)14-13-11/h5-10H2,1-4H3.
What are the key properties of 3,3,10,10-tetramethyldithiecane?
3,3,10,10-tetramethyldithiecane has a molecular weight of 232.46 g/mol, XLogP of 5.28, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,10,10-tetramethyldithiecane is sourced from PubChem (CID 57298519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).