5,5-dimethyl-1,3-diazinane-2-thione

C6H12N2S — CID 3866487

IUPAC5,5-dimethyl-1,3-diazinane-2-thione
SMILESCC1(C)CNC(=S)NC1
InChIInChI=1S/C6H12N2S/c1-6(2)3-7-5(9)8-4-6/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyMIMZDJBZXJJJKQ-UHFFFAOYSA-N
MW144.24 g/mol
LogP0.49
Rot. Bonds

About 5,5-dimethyl-1,3-diazinane-2-thione

5,5-dimethyl-1,3-diazinane-2-thione (PubChem CID 3866487) has the molecular formula C6H12N2S and a molecular weight of 144.24 g/mol. Its IUPAC name is 5,5-dimethyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name5,5-dimethyl-1,3-diazinane-2-thione
PubChem CID3866487
Molecular FormulaC6H12N2S
Molecular Weight144.24 g/mol
Exact Mass144.07
IUPAC Name5,5-dimethyl-1,3-diazinane-2-thione
SMILESCC1(C)CNC(=S)NC1
InChIInChI=1S/C6H12N2S/c1-6(2)3-7-5(9)8-4-6/h3-4H2,1-2H3,(H2,7,8,9)
InChIKeyMIMZDJBZXJJJKQ-UHFFFAOYSA-N
XLogP0.49
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.24
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-1,3-diazinane-2-thione?
The IUPAC name of 5,5-dimethyl-1,3-diazinane-2-thione (CID 3866487) is 5,5-dimethyl-1,3-diazinane-2-thione.
What is the SMILES notation for 5,5-dimethyl-1,3-diazinane-2-thione?
The canonical SMILES for 5,5-dimethyl-1,3-diazinane-2-thione is CC1(C)CNC(=S)NC1.
What is the InChIKey of 5,5-dimethyl-1,3-diazinane-2-thione?
The InChIKey is MIMZDJBZXJJJKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2S/c1-6(2)3-7-5(9)8-4-6/h3-4H2,1-2H3,(H2,7,8,9).
What are the key properties of 5,5-dimethyl-1,3-diazinane-2-thione?
5,5-dimethyl-1,3-diazinane-2-thione has a molecular weight of 144.24 g/mol, XLogP of 0.49, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-1,3-diazinane-2-thione is sourced from PubChem (CID 3866487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).