2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine

C11H16N3OPS — CID 23416283

IUPAC2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine
SMILESCC1=NN(C)P(=S)(Oc2ccccc2)N(C)C1
InChIInChI=1S/C11H16N3OPS/c1-10-9-13(2)16(17,14(3)12-10)15-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKeyFTLJNHZUKCYGAW-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.54
Rot. Bonds2

About 2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine

2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine (PubChem CID 23416283) has the molecular formula C11H16N3OPS and a molecular weight of 269.31 g/mol. Its IUPAC name is 2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine.

Molecular Properties

Compound Name2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine
PubChem CID23416283
Molecular FormulaC11H16N3OPS
Molecular Weight269.31 g/mol
Exact Mass269.08
IUPAC Name2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine
SMILESCC1=NN(C)P(=S)(Oc2ccccc2)N(C)C1
InChIInChI=1S/C11H16N3OPS/c1-10-9-13(2)16(17,14(3)12-10)15-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3
InChIKeyFTLJNHZUKCYGAW-UHFFFAOYSA-N
XLogP2.54
TPSA28.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2,4,4,6,6-pentaphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 139877927
2-methyl-3,3-bis(4-methylphenoxy)-5-phenyl-1,2,4-triaza-3λ5-phosphacyclopenta-3,5-diene
CID 12700397
2,4,6,8,10,12-hexafluoro-2,4,6,8,10,12-hexaphenoxy-1,3,5,7,9,11-hexaza-2λ5,4λ5,6λ5,8λ5,10λ5,12λ5-hexaphosphacyclododeca-1,3,5,7,9,11-hexaene
CID 59283717
2-phenoxy-2-sulfanylidene-1,3,2lambda5-dioxaphosphinane
CID 13308395
4,6,15,17,26,28,37,39-octamethyl-5,16,27,38-tetraphenoxy-3,4,6,7,14,15,17,18,25,26,28,29,36,37,39,40,45,46,47,48-icosaza-5λ5,16λ5,27λ5,38λ5-tetraphosphapentacyclo[40.2.1.19,12.120,23.131,34]octatetraconta-1(44),2,7,9,11,13,18,20,22,24,29,31,33,35,40,42-hexadecaene 5,16,27,38-tetraoxide
CID 177439761
2,2,4,4-tetrachloro-6,6-diphenoxy-1,3,5-triaza-2lambda5,4lambda5,6lambda5-triphosphacyclohexa-1,3,5-triene
CID 14366454
2-methoxy-1,3-dimethyl-2-phenylimino-1,3,2lambda5-diazaphospholidine
CID 12930639
2,4,6-triethoxy-2,4,6-triphenoxy-1,3,5-triaza-2λ5,4λ5,6λ5-triphosphacyclohexa-1,3,5-triene
CID 68558324
2-phenoxy-2,4,4,6,6,8,8-hepta(propan-2-yloxy)-1,3,5,7-tetraza-2λ5,4λ5,6λ5,8λ5-tetraphosphacycloocta-1,3,5,7-tetraene
CID 139877873
CID 172685187
CID 172685187
anisole;trihydrofluoride
CID 174796385
anisole;hydrochloride
CID 158800007

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine?
The IUPAC name of 2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine (CID 23416283) is 2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine.
What is the SMILES notation for 2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine?
The canonical SMILES for 2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine is CC1=NN(C)P(=S)(Oc2ccccc2)N(C)C1.
What is the InChIKey of 2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine?
The InChIKey is FTLJNHZUKCYGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N3OPS/c1-10-9-13(2)16(17,14(3)12-10)15-11-7-5-4-6-8-11/h4-8H,9H2,1-3H3.
What are the key properties of 2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine?
2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine has a molecular weight of 269.31 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-3-phenoxy-3-sulfanylidene-5H-1,2,4,3λ5-triazaphosphinine is sourced from PubChem (CID 23416283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).