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

C5H10N2S — CID 3034347

IUPAC1-methyl-1,3-diazinane-2-thione
SMILESCN1CCCNC1=S
InChIInChI=1S/C5H10N2S/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)
InChIKeyKWRGMBARTDLYSH-UHFFFAOYSA-N
MW130.22 g/mol
LogP0.20
Rot. Bonds

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

1-methyl-1,3-diazinane-2-thione (PubChem CID 3034347) has the molecular formula C5H10N2S and a molecular weight of 130.22 g/mol. Its IUPAC name is 1-methyl-1,3-diazinane-2-thione.

Molecular Properties

Compound Name1-methyl-1,3-diazinane-2-thione
PubChem CID3034347
Molecular FormulaC5H10N2S
Molecular Weight130.22 g/mol
Exact Mass130.06
IUPAC Name1-methyl-1,3-diazinane-2-thione
SMILESCN1CCCNC1=S
InChIInChI=1S/C5H10N2S/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8)
InChIKeyKWRGMBARTDLYSH-UHFFFAOYSA-N
XLogP0.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.22
LogP ≤ 50.20
H-Bond Donors ≤ 51
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 1-methyl-1,3-diazinane-2-thione?
The IUPAC name of 1-methyl-1,3-diazinane-2-thione (CID 3034347) is 1-methyl-1,3-diazinane-2-thione.
What is the SMILES notation for 1-methyl-1,3-diazinane-2-thione?
The canonical SMILES for 1-methyl-1,3-diazinane-2-thione is CN1CCCNC1=S.
What is the InChIKey of 1-methyl-1,3-diazinane-2-thione?
The InChIKey is KWRGMBARTDLYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2S/c1-7-4-2-3-6-5(7)8/h2-4H2,1H3,(H,6,8).
What are the key properties of 1-methyl-1,3-diazinane-2-thione?
1-methyl-1,3-diazinane-2-thione has a molecular weight of 130.22 g/mol, XLogP of 0.20, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1,3-diazinane-2-thione is sourced from PubChem (CID 3034347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).