5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione

C6H10N2O2S2 — CID 10442981

IUPAC5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione
SMILESCN1C(=O)CSSCC(=O)N1C
InChIInChI=1S/C6H10N2O2S2/c1-7-5(9)3-11-12-4-6(10)8(7)2/h3-4H2,1-2H3
InChIKeyDJCAFQJLTXKFSP-UHFFFAOYSA-N
MW206.29 g/mol
LogP0.21
Rot. Bonds

About 5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione

5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione (PubChem CID 10442981) has the molecular formula C6H10N2O2S2 and a molecular weight of 206.29 g/mol. Its IUPAC name is 5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione.

Molecular Properties

Compound Name5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione
PubChem CID10442981
Molecular FormulaC6H10N2O2S2
Molecular Weight206.29 g/mol
Exact Mass206.02
IUPAC Name5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione
SMILESCN1C(=O)CSSCC(=O)N1C
InChIInChI=1S/C6H10N2O2S2/c1-7-5(9)3-11-12-4-6(10)8(7)2/h3-4H2,1-2H3
InChIKeyDJCAFQJLTXKFSP-UHFFFAOYSA-N
XLogP0.21
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 50.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione?
The IUPAC name of 5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione (CID 10442981) is 5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione.
What is the SMILES notation for 5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione?
The canonical SMILES for 5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione is CN1C(=O)CSSCC(=O)N1C.
What is the InChIKey of 5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione?
The InChIKey is DJCAFQJLTXKFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O2S2/c1-7-5(9)3-11-12-4-6(10)8(7)2/h3-4H2,1-2H3.
What are the key properties of 5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione?
5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione has a molecular weight of 206.29 g/mol, XLogP of 0.21, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,2,5,6-dithiadiazocane-4,7-dione is sourced from PubChem (CID 10442981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).