6-methylidene-2-sulfanylidene-1,3-diazinan-4-one

C5H6N2OS — CID 89341343

IUPAC6-methylidene-2-sulfanylidene-1,3-diazinan-4-one
SMILESC=C1CC(=O)NC(=S)N1
InChIInChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h1-2H2,(H2,6,7,8,9)
InChIKeyUAAIUKUVHRFVRJ-UHFFFAOYSA-N
MW142.18 g/mol
LogP-0.11
Rot. Bonds

About 6-methylidene-2-sulfanylidene-1,3-diazinan-4-one

6-methylidene-2-sulfanylidene-1,3-diazinan-4-one (PubChem CID 89341343) has the molecular formula C5H6N2OS and a molecular weight of 142.18 g/mol. Its IUPAC name is 6-methylidene-2-sulfanylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-methylidene-2-sulfanylidene-1,3-diazinan-4-one
PubChem CID89341343
Molecular FormulaC5H6N2OS
Molecular Weight142.18 g/mol
Exact Mass142.02
IUPAC Name6-methylidene-2-sulfanylidene-1,3-diazinan-4-one
SMILESC=C1CC(=O)NC(=S)N1
InChIInChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h1-2H2,(H2,6,7,8,9)
InChIKeyUAAIUKUVHRFVRJ-UHFFFAOYSA-N
XLogP-0.11
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.18
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-methylidene-2-sulfanylidene-1,3-diazinan-4-one?
The IUPAC name of 6-methylidene-2-sulfanylidene-1,3-diazinan-4-one (CID 89341343) is 6-methylidene-2-sulfanylidene-1,3-diazinan-4-one.
What is the SMILES notation for 6-methylidene-2-sulfanylidene-1,3-diazinan-4-one?
The canonical SMILES for 6-methylidene-2-sulfanylidene-1,3-diazinan-4-one is C=C1CC(=O)NC(=S)N1.
What is the InChIKey of 6-methylidene-2-sulfanylidene-1,3-diazinan-4-one?
The InChIKey is UAAIUKUVHRFVRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N2OS/c1-3-2-4(8)7-5(9)6-3/h1-2H2,(H2,6,7,8,9).
What are the key properties of 6-methylidene-2-sulfanylidene-1,3-diazinan-4-one?
6-methylidene-2-sulfanylidene-1,3-diazinan-4-one has a molecular weight of 142.18 g/mol, XLogP of -0.11, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-2-sulfanylidene-1,3-diazinan-4-one is sourced from PubChem (CID 89341343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).