3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole

C14H14N3PS — CID 23415674

IUPAC3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole
SMILESCP1(=S)N=C(c2ccccc2)NN1c1ccccc1
InChIInChI=1S/C14H14N3PS/c1-18(19)16-14(12-8-4-2-5-9-12)15-17(18)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,16,19)
InChIKeyGNIDYAWGEYUCNV-UHFFFAOYSA-N
MW287.33 g/mol
LogP3.40
Rot. Bonds2

About 3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole

3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole (PubChem CID 23415674) has the molecular formula C14H14N3PS and a molecular weight of 287.33 g/mol. Its IUPAC name is 3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole.

Molecular Properties

Compound Name3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole
PubChem CID23415674
Molecular FormulaC14H14N3PS
Molecular Weight287.33 g/mol
Exact Mass287.06
IUPAC Name3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole
SMILESCP1(=S)N=C(c2ccccc2)NN1c1ccccc1
InChIInChI=1S/C14H14N3PS/c1-18(19)16-14(12-8-4-2-5-9-12)15-17(18)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,16,19)
InChIKeyGNIDYAWGEYUCNV-UHFFFAOYSA-N
XLogP3.40
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Diminazene
CID 2354
N-Phenylbenzamidine
CID 200127
2,3,5-Triphenyltetrazole
CID 506591
Benzenecarboximidic acid, 2-phenylhydrazide, monohydrochloride
CID 9578610
4-[(4-Ethanimidoylanilino)diazenyl]benzenecarboximidamide
CID 88909226
4-(Anilinodiazenyl)benzenecarboximidamide
CID 127044193
Acetophenone phenylhydrazone
CID 9576952
Benzamid-phenylhydrazon
CID 6338223
2,3,5-Triphenyl tetrazolium chloride
CID 53249492
2,3,5-triphenyl-1H-tetrazol-1-ium bromide
CID 53445285
4,4'-(Triaz-1-ene-1,3-diyl)dibenzimidamide hydrochloride
CID 54607780
2,3,5-Triphenyl-2,3-dihydro-1H-tetrazole hydrochloride
CID 44782304

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole?
The IUPAC name of 3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole (CID 23415674) is 3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole.
What is the SMILES notation for 3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole?
The canonical SMILES for 3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole is CP1(=S)N=C(c2ccccc2)NN1c1ccccc1.
What is the InChIKey of 3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole?
The InChIKey is GNIDYAWGEYUCNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N3PS/c1-18(19)16-14(12-8-4-2-5-9-12)15-17(18)13-10-6-3-7-11-13/h2-11H,1H3,(H,15,16,19).
What are the key properties of 3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole?
3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole has a molecular weight of 287.33 g/mol, XLogP of 3.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2,5-diphenyl-3-sulfanylidene-1H-1,2,4,3λ5-triazaphosphole is sourced from PubChem (CID 23415674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).