N-dihydroxyphosphinothioyl-2,6-diethylaniline

C10H16NO2PS — CID 88778381

IUPACN-dihydroxyphosphinothioyl-2,6-diethylaniline
SMILESCCc1cccc(CC)c1NP(O)(O)=S
InChIInChI=1S/C10H16NO2PS/c1-3-8-6-5-7-9(4-2)10(8)11-14(12,13)15/h5-7H,3-4H2,1-2H3,(H3,11,12,13,15)
InChIKeyLIMVYQBKVVAPQS-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.43
Rot. Bonds4

About N-dihydroxyphosphinothioyl-2,6-diethylaniline

N-dihydroxyphosphinothioyl-2,6-diethylaniline (PubChem CID 88778381) has the molecular formula C10H16NO2PS and a molecular weight of 245.28 g/mol. Its IUPAC name is N-dihydroxyphosphinothioyl-2,6-diethylaniline.

Molecular Properties

Compound NameN-dihydroxyphosphinothioyl-2,6-diethylaniline
PubChem CID88778381
Molecular FormulaC10H16NO2PS
Molecular Weight245.28 g/mol
Exact Mass245.06
IUPAC NameN-dihydroxyphosphinothioyl-2,6-diethylaniline
SMILESCCc1cccc(CC)c1NP(O)(O)=S
InChIInChI=1S/C10H16NO2PS/c1-3-8-6-5-7-9(4-2)10(8)11-14(12,13)15/h5-7H,3-4H2,1-2H3,(H3,11,12,13,15)
InChIKeyLIMVYQBKVVAPQS-UHFFFAOYSA-N
XLogP2.43
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-(2,6-diethylphenyl)-3-sulfanylidenepropanamide
CID 28942377
(E)-N,N'-bis(2,6-diethylphenyl)ethene-1,2-diamine
CID 12975599
2-(2,6-diethylanilino)acetohydrazide
CID 13014243
1,2-diethylbenzene;hydrobromide
CID 174973685
2,6-diethyl-N-prop-2-enylaniline
CID 62328023
(2-ethylphenyl)sulfanyl-dihydroxy-sulfanylidene-λ5-phosphane
CID 87853976
N,N'-bis(2-ethyl-6-methylphenyl)oxamide
CID 3725747
2,6-diethyl-N-phenylaniline
CID 45095580
1-(2,6-diethylanilino)-2-methylbutan-2-ol
CID 114493054
4-(2,6-diethylanilino)butan-1-ol
CID 62327687
N-(2-chloro-6-ethylphenyl)acetamide
CID 130011952
3-(2,6-diethylanilino)benzene-1,2-diol
CID 141324141

Frequently Asked Questions

What is the IUPAC name of N-dihydroxyphosphinothioyl-2,6-diethylaniline?
The IUPAC name of N-dihydroxyphosphinothioyl-2,6-diethylaniline (CID 88778381) is N-dihydroxyphosphinothioyl-2,6-diethylaniline.
What is the SMILES notation for N-dihydroxyphosphinothioyl-2,6-diethylaniline?
The canonical SMILES for N-dihydroxyphosphinothioyl-2,6-diethylaniline is CCc1cccc(CC)c1NP(O)(O)=S.
What is the InChIKey of N-dihydroxyphosphinothioyl-2,6-diethylaniline?
The InChIKey is LIMVYQBKVVAPQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16NO2PS/c1-3-8-6-5-7-9(4-2)10(8)11-14(12,13)15/h5-7H,3-4H2,1-2H3,(H3,11,12,13,15).
What are the key properties of N-dihydroxyphosphinothioyl-2,6-diethylaniline?
N-dihydroxyphosphinothioyl-2,6-diethylaniline has a molecular weight of 245.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dihydroxyphosphinothioyl-2,6-diethylaniline is sourced from PubChem (CID 88778381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).