2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene

C18H17N2PS2 — CID 5222942

IUPAC2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene
SMILESCC(=NNP(=S)(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C18H17N2PS2/c1-15(18-13-8-14-23-18)19-20-21(22,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14H,1H3,(H,20,22)
InChIKeyCNQUDVKKNNPHTD-UHFFFAOYSA-N
MW356.46 g/mol
LogP4.11
Rot. Bonds5

About 2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene

2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene (PubChem CID 5222942) has the molecular formula C18H17N2PS2 and a molecular weight of 356.46 g/mol. Its IUPAC name is 2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene.

Molecular Properties

Compound Name2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene
PubChem CID5222942
Molecular FormulaC18H17N2PS2
Molecular Weight356.46 g/mol
Exact Mass356.06
IUPAC Name2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene
SMILESCC(=NNP(=S)(c1ccccc1)c1ccccc1)c1cccs1
InChIInChI=1S/C18H17N2PS2/c1-15(18-13-8-14-23-18)19-20-21(22,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14H,1H3,(H,20,22)
InChIKeyCNQUDVKKNNPHTD-UHFFFAOYSA-N
XLogP4.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.46
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-[(E)-1-thiophen-2-ylethylideneamino]acetamide
CID 6116253
2-methyl-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5428052
2,2-diphenyl-N-(1-thiophen-2-ylethylideneamino)acetamide
CID 969030
2-chloro-N-[(E)-1-thiophen-2-ylethylideneamino]benzamide
CID 5333978
2-chloro-N-(1-thiophen-2-ylethylideneamino)aniline
CID 3463162
N-(benzylideneamino)-1-thiophen-2-ylethanimine
CID 4212396
2-anilino-N-(1-thiophen-2-ylethylideneamino)benzamide
CID 5090031
2-ethyl-N-[(E)-1-thiophen-2-ylethylideneamino]aniline
CID 7340543
N,N'-bis[(E)-1-thiophen-2-ylethylideneamino]heptanediamide
CID 19685885
N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropanecarboxamide
CID 6340204
4-methyl-N-[(Z)-1-thiophen-2-ylethylideneamino]quinolin-2-amine
CID 31522342
2-phenyl-N-[(Z)-1-thiophen-2-ylethylideneamino]cyclopropane-1-carboxamide
CID 6370476

Frequently Asked Questions

What is the IUPAC name of 2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene?
The IUPAC name of 2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene (CID 5222942) is 2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene.
What is the SMILES notation for 2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene?
The canonical SMILES for 2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene is CC(=NNP(=S)(c1ccccc1)c1ccccc1)c1cccs1.
What is the InChIKey of 2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene?
The InChIKey is CNQUDVKKNNPHTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N2PS2/c1-15(18-13-8-14-23-18)19-20-21(22,16-9-4-2-5-10-16)17-11-6-3-7-12-17/h2-14H,1H3,(H,20,22).
What are the key properties of 2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene?
2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene has a molecular weight of 356.46 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(diphenylphosphinothioylamino)-C-methylcarbonimidoyl]thiophene is sourced from PubChem (CID 5222942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).