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

C10H10N2OS — CID 2900470

IUPAC6-phenyl-2-sulfanylidene-1,3-diazinan-4-one
SMILESO=C1CC(c2ccccc2)NC(=S)N1
InChIInChI=1S/C10H10N2OS/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)
InChIKeyJIBRFUJNQRGYJA-UHFFFAOYSA-N
MW206.27 g/mol
LogP1.12
Rot. Bonds1

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

6-phenyl-2-sulfanylidene-1,3-diazinan-4-one (PubChem CID 2900470) has the molecular formula C10H10N2OS and a molecular weight of 206.27 g/mol. Its IUPAC name is 6-phenyl-2-sulfanylidene-1,3-diazinan-4-one.

Molecular Properties

Compound Name6-phenyl-2-sulfanylidene-1,3-diazinan-4-one
PubChem CID2900470
Molecular FormulaC10H10N2OS
Molecular Weight206.27 g/mol
Exact Mass206.05
IUPAC Name6-phenyl-2-sulfanylidene-1,3-diazinan-4-one
SMILESO=C1CC(c2ccccc2)NC(=S)N1
InChIInChI=1S/C10H10N2OS/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14)
InChIKeyJIBRFUJNQRGYJA-UHFFFAOYSA-N
XLogP1.12
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.27
LogP ≤ 51.12
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-phenyl-2-sulfanylidene-1,3-diazinan-4-one?
The IUPAC name of 6-phenyl-2-sulfanylidene-1,3-diazinan-4-one (CID 2900470) is 6-phenyl-2-sulfanylidene-1,3-diazinan-4-one.
What is the SMILES notation for 6-phenyl-2-sulfanylidene-1,3-diazinan-4-one?
The canonical SMILES for 6-phenyl-2-sulfanylidene-1,3-diazinan-4-one is O=C1CC(c2ccccc2)NC(=S)N1.
What is the InChIKey of 6-phenyl-2-sulfanylidene-1,3-diazinan-4-one?
The InChIKey is JIBRFUJNQRGYJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2OS/c13-9-6-8(11-10(14)12-9)7-4-2-1-3-5-7/h1-5,8H,6H2,(H2,11,12,13,14).
What are the key properties of 6-phenyl-2-sulfanylidene-1,3-diazinan-4-one?
6-phenyl-2-sulfanylidene-1,3-diazinan-4-one has a molecular weight of 206.27 g/mol, XLogP of 1.12, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-phenyl-2-sulfanylidene-1,3-diazinan-4-one is sourced from PubChem (CID 2900470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).