4-methyl-1,3-diazinane-2-thione

C5H10N2S — CID 14122811

IUPAC4-methyl-1,3-diazinane-2-thione
SMILESCC1CCNC(=S)N1
InChIInChI=1S/C5H10N2S/c1-4-2-3-6-5(8)7-4/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyXNNIDXFRCYZKDF-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.24
Rot. Bonds

About 4-methyl-1,3-diazinane-2-thione

4-methyl-1,3-diazinane-2-thione (PubChem CID 14122811) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 4-methyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name4-methyl-1,3-diazinane-2-thione
PubChem CID14122811
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name4-methyl-1,3-diazinane-2-thione
SMILESCC1CCNC(=S)N1
InChIInChI=1S/C5H10N2S/c1-4-2-3-6-5(8)7-4/h4H,2-3H2,1H3,(H2,6,7,8)
InChIKeyXNNIDXFRCYZKDF-UHFFFAOYSA-N
XLogP0.24
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.24
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 4-methyl-1,3-diazinane-2-thione?
The IUPAC name of 4-methyl-1,3-diazinane-2-thione (CID 14122811) is 4-methyl-1,3-diazinane-2-thione.
What is the SMILES notation for 4-methyl-1,3-diazinane-2-thione?
The canonical SMILES for 4-methyl-1,3-diazinane-2-thione is CC1CCNC(=S)N1.
What is the InChIKey of 4-methyl-1,3-diazinane-2-thione?
The InChIKey is XNNIDXFRCYZKDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-4-2-3-6-5(8)7-4/h4H,2-3H2,1H3,(H2,6,7,8).
What are the key properties of 4-methyl-1,3-diazinane-2-thione?
4-methyl-1,3-diazinane-2-thione has a molecular weight of 130.22 g/mol, XLogP of 0.24, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1,3-diazinane-2-thione is sourced from PubChem (CID 14122811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).