N-dihydroxyphosphinothioylsulfanylaniline

C6H8NO2PS2 — CID 87724257

IUPACN-dihydroxyphosphinothioylsulfanylaniline
SMILESOP(O)(=S)SNc1ccccc1
InChIInChI=1S/C6H8NO2PS2/c8-10(9,11)12-7-6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,11)
InChIKeyXOEHNKRZPINMQJ-UHFFFAOYSA-N
MW221.24 g/mol
LogP1.96
Rot. Bonds3

About N-dihydroxyphosphinothioylsulfanylaniline

N-dihydroxyphosphinothioylsulfanylaniline (PubChem CID 87724257) has the molecular formula C6H8NO2PS2 and a molecular weight of 221.24 g/mol. Its IUPAC name is N-dihydroxyphosphinothioylsulfanylaniline.

Molecular Properties

Compound NameN-dihydroxyphosphinothioylsulfanylaniline
PubChem CID87724257
Molecular FormulaC6H8NO2PS2
Molecular Weight221.24 g/mol
Exact Mass220.97
IUPAC NameN-dihydroxyphosphinothioylsulfanylaniline
SMILESOP(O)(=S)SNc1ccccc1
InChIInChI=1S/C6H8NO2PS2/c8-10(9,11)12-7-6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,11)
InChIKeyXOEHNKRZPINMQJ-UHFFFAOYSA-N
XLogP1.96
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.24
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tris(N-phenylaniline);trihydroxy(sulfanylidene)-λ5-phosphane
CID 175486042
anilinosulfanyl(sulfanylidene)phosphanium
CID 149253070
bis(phenylcarbamothioylsulfanyl)lead
CID 141142278
N-ethenylsulfanylaniline
CID 591971
benzene;N-phenylhydroxylamine
CID 162151307
hydroxy-diphenyl-sulfanylidene-λ5-phosphane;hydrochloride
CID 172809471
dihydroxy-(phenoxymethylsulfanyl)-sulfanylidene-λ5-phosphane
CID 21423560
chlorobenzene;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173433140
CID 173161115
CID 173161115
sodium;bromobenzene;hydride;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173452462
aniline;N-phenylaniline;phosphoric acid
CID 66746384
N-pyridin-4-ylsulfanylaniline
CID 154074799

Frequently Asked Questions

What is the IUPAC name of N-dihydroxyphosphinothioylsulfanylaniline?
The IUPAC name of N-dihydroxyphosphinothioylsulfanylaniline (CID 87724257) is N-dihydroxyphosphinothioylsulfanylaniline.
What is the SMILES notation for N-dihydroxyphosphinothioylsulfanylaniline?
The canonical SMILES for N-dihydroxyphosphinothioylsulfanylaniline is OP(O)(=S)SNc1ccccc1.
What is the InChIKey of N-dihydroxyphosphinothioylsulfanylaniline?
The InChIKey is XOEHNKRZPINMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO2PS2/c8-10(9,11)12-7-6-4-2-1-3-5-6/h1-5,7H,(H2,8,9,11).
What are the key properties of N-dihydroxyphosphinothioylsulfanylaniline?
N-dihydroxyphosphinothioylsulfanylaniline has a molecular weight of 221.24 g/mol, XLogP of 1.96, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dihydroxyphosphinothioylsulfanylaniline is sourced from PubChem (CID 87724257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).