3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione

C8H14N4S2 — CID 10561470

IUPAC3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione
SMILESCN1C(=S)NC2(C)NC(=S)N(C)C12C
InChIInChI=1S/C8H14N4S2/c1-7-8(2,11(3)5(13)9-7)12(4)6(14)10-7/h1-4H3,(H,9,13)(H,10,14)
InChIKeyWUFYKWZIOHRONV-UHFFFAOYSA-N
MW230.36 g/mol
LogP0.06
Rot. Bonds

About 3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione

3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione (PubChem CID 10561470) has the molecular formula C8H14N4S2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione.

Molecular Properties

Compound Name3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione
PubChem CID10561470
Molecular FormulaC8H14N4S2
Molecular Weight230.36 g/mol
Exact Mass230.07
IUPAC Name3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione
SMILESCN1C(=S)NC2(C)NC(=S)N(C)C12C
InChIInChI=1S/C8H14N4S2/c1-7-8(2,11(3)5(13)9-7)12(4)6(14)10-7/h1-4H3,(H,9,13)(H,10,14)
InChIKeyWUFYKWZIOHRONV-UHFFFAOYSA-N
XLogP0.06
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(3aR,6aR)-3,3a,4,6a-tetramethyl-5-oxo-2-sulfanylidene-1H-imidazo[4,5-d]imidazol-6-yl]-2-ethylbutane-1,3-dione
CID 10663904
(6R)-6-(2,4-dihydroxyphenyl)-1,4,4,6-tetramethyl-1,3-diazinane-2-thione
CID 1201962
1-methyl-1,3-diazaspiro[4.4]nonane-2,4-dithione
CID 171384862
3-methyl-5-propan-2-ylidene-2-sulfanylideneimidazolidin-4-one
CID 21049415
3-amino-4,6,6-trimethyl-1H-pyrimidine-2-thione
CID 5147828
3-(4,4,6-trimethyl-2-sulfanylidene-1,3-diazinan-1-yl)propanoic acid
CID 46736091
(6S)-6-hydroxy-1-(2-hydroxyethyl)-4,4,6-trimethyl-1,3-diazinane-2-thione
CID 95987321
2-methyl-1,2,4-triazaspiro[4.11]hexadecane-3-thione
CID 100601184
(5S)-5-ethyl-5-methyl-2-(3-methylbutyl)-1,2,4-triazolidine-3-thione
CID 706873
(5R)-5-methyl-2-phenyl-5-propan-2-yl-1,2,4-triazolidine-3-thione
CID 781757
4,4,5-trimethylthieno[3,4-c]pyrrol-6-one
CID 21300250
(5R,9S)-2,7,7,9-tetramethyl-1,2,4-triazaspiro[4.5]decane-3-thione
CID 704568

Frequently Asked Questions

What is the IUPAC name of 3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione?
The IUPAC name of 3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione (CID 10561470) is 3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione.
What is the SMILES notation for 3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione?
The canonical SMILES for 3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione is CN1C(=S)NC2(C)NC(=S)N(C)C12C.
What is the InChIKey of 3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione?
The InChIKey is WUFYKWZIOHRONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4S2/c1-7-8(2,11(3)5(13)9-7)12(4)6(14)10-7/h1-4H3,(H,9,13)(H,10,14).
What are the key properties of 3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione?
3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione has a molecular weight of 230.36 g/mol, XLogP of 0.06, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3a,4,6a-tetramethyl-1,6-dihydroimidazo[4,5-d]imidazole-2,5-dithione is sourced from PubChem (CID 10561470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).