1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione

C7H10N2O2S — CID 87802390

IUPAC1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione
SMILESCC1C(=O)N(C)C(=O)N(C)C1=S
InChIInChI=1S/C7H10N2O2S/c1-4-5(10)8(2)7(11)9(3)6(4)12/h4H,1-3H3
InChIKeyNPHGLDPXHZGRHT-UHFFFAOYSA-N
MW186.24 g/mol
LogP0.47
Rot. Bonds

About 1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione

1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione (PubChem CID 87802390) has the molecular formula C7H10N2O2S and a molecular weight of 186.24 g/mol. Its IUPAC name is 1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione
PubChem CID87802390
Molecular FormulaC7H10N2O2S
Molecular Weight186.24 g/mol
Exact Mass186.05
IUPAC Name1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione
SMILESCC1C(=O)N(C)C(=O)N(C)C1=S
InChIInChI=1S/C7H10N2O2S/c1-4-5(10)8(2)7(11)9(3)6(4)12/h4H,1-3H3
InChIKeyNPHGLDPXHZGRHT-UHFFFAOYSA-N
XLogP0.47
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.24
LogP ≤ 50.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione?
The IUPAC name of 1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione (CID 87802390) is 1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione?
The canonical SMILES for 1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione is CC1C(=O)N(C)C(=O)N(C)C1=S.
What is the InChIKey of 1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione?
The InChIKey is NPHGLDPXHZGRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2S/c1-4-5(10)8(2)7(11)9(3)6(4)12/h4H,1-3H3.
What are the key properties of 1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione?
1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione has a molecular weight of 186.24 g/mol, XLogP of 0.47, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-6-sulfanylidene-1,3-diazinane-2,4-dione is sourced from PubChem (CID 87802390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).