(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine

C21H22NOPS — CID 135076568

IUPAC(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine
SMILESCc1cccc(C)c1P(=O)(/N=C/c1cccs1)c1c(C)cccc1C
InChIInChI=1S/C21H22NOPS/c1-15-8-5-9-16(2)20(15)24(23,22-14-19-12-7-13-25-19)21-17(3)10-6-11-18(21)4/h5-14H,1-4H3/b22-14+
InChIKeyVGQLXUJAIILUGU-HYARGMPZSA-N
MW367.45 g/mol
LogP5.33
Rot. Bonds4

About (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine

(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine (PubChem CID 135076568) has the molecular formula C21H22NOPS and a molecular weight of 367.45 g/mol. Its IUPAC name is (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine.

Molecular Properties

Compound Name(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine
PubChem CID135076568
Molecular FormulaC21H22NOPS
Molecular Weight367.45 g/mol
Exact Mass367.12
IUPAC Name(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine
SMILESCc1cccc(C)c1P(=O)(/N=C/c1cccs1)c1c(C)cccc1C
InChIInChI=1S/C21H22NOPS/c1-15-8-5-9-16(2)20(15)24(23,22-14-19-12-7-13-25-19)21-17(3)10-6-11-18(21)4/h5-14H,1-4H3/b22-14+
InChIKeyVGQLXUJAIILUGU-HYARGMPZSA-N
XLogP5.33
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

(thiophen-2-ylmethylideneamino)methylphosphonic acid
CID 70480868
(NZ)-N-(thiophen-2-ylmethylidene)hydroxylamine
CID 5371572
N-(3-methylphenyl)-1-thiophen-2-ylmethanimine
CID 13481551
2,4,6-trimethyl-N-[(E)-thiophen-2-ylmethylideneamino]benzenesulfonamide
CID 110516904
4-methyl-N-[(Z)-thiophen-2-ylmethylideneamino]benzamide
CID 5413555
4-methyl-N-(thiophen-2-ylmethylidene)benzenesulfonamide
CID 693815
(thiophen-2-ylmethylideneamino) acetate
CID 90903453
(NE)-2-methyl-N-(thiophen-2-ylmethylidene)propane-2-sulfonamide
CID 135073250
N-phenyl-N-(thiophen-2-ylmethylideneamino)aniline
CID 70556050
N-(thiophen-2-ylmethylideneamino)formamide
CID 4188551
6-[(E)-thiophen-2-ylmethylideneamino]pyridin-2-amine
CID 177449170
2-(2,6-dimethylphenyl)thiophene
CID 58838883

Frequently Asked Questions

What is the IUPAC name of (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine?
The IUPAC name of (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine (CID 135076568) is (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine.
What is the SMILES notation for (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine?
The canonical SMILES for (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine is Cc1cccc(C)c1P(=O)(/N=C/c1cccs1)c1c(C)cccc1C.
What is the InChIKey of (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine?
The InChIKey is VGQLXUJAIILUGU-HYARGMPZSA-N. The full InChI is InChI=1S/C21H22NOPS/c1-15-8-5-9-16(2)20(15)24(23,22-14-19-12-7-13-25-19)21-17(3)10-6-11-18(21)4/h5-14H,1-4H3/b22-14+.
What are the key properties of (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine?
(E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine has a molecular weight of 367.45 g/mol, XLogP of 5.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-bis(2,6-dimethylphenyl)phosphoryl-1-thiophen-2-ylmethanimine is sourced from PubChem (CID 135076568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).