(N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite

C10H15BrNOPS2 — CID 149251546

IUPAC(N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite
SMILESCCCOP(C)(=S)N(SBr)c1ccccc1
InChIInChI=1S/C10H15BrNOPS2/c1-3-9-13-14(2,15)12(16-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyQOILODGPIRWYPU-UHFFFAOYSA-N
MW340.25 g/mol
LogP4.82
Rot. Bonds6

About (N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite

(N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite (PubChem CID 149251546) has the molecular formula C10H15BrNOPS2 and a molecular weight of 340.25 g/mol. Its IUPAC name is (N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite.

Molecular Properties

Compound Name(N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite
PubChem CID149251546
Molecular FormulaC10H15BrNOPS2
Molecular Weight340.25 g/mol
Exact Mass338.95
IUPAC Name(N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite
SMILESCCCOP(C)(=S)N(SBr)c1ccccc1
InChIInChI=1S/C10H15BrNOPS2/c1-3-9-13-14(2,15)12(16-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3
InChIKeyQOILODGPIRWYPU-UHFFFAOYSA-N
XLogP4.82
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.25
LogP ≤ 54.82
H-Bond Donors ≤ 50
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

N-methyl-N-propoxyaniline
CID 14117102
N-methyl-N-[methyl(pentoxy)phosphinothioyl]methanamine
CID 102312725
N-[[ethoxy(methyl)phosphoryl]methyl]-N-methylaniline
CID 139617571
ethene;N-methyl-N-phenylaniline
CID 144541479
N-(N-dihydroxyphosphinothioylanilino)sulfanyl-N-methylcarbamoyl fluoride
CID 54474957
propyl N-ethyl-N-phenylcarbamodithioate
CID 71384750
dibutoxy-phenyl-sulfanylidene-lambda5-phosphane
CID 10968132
N-methyl-N-[2-(N-methylanilino)sulfanylethylsulfanyl]aniline
CID 130247228
dipropoxyphosphorylbenzene
CID 11736632
dimethyl-(2-phenylethoxy)-sulfanylidene-λ5-phosphane
CID 58637364
propyl N-phenyl-N-propylcarbamodithioate
CID 141103527
ethane;bis(N-methyl-N-phenylaniline)
CID 160716887

Frequently Asked Questions

What is the IUPAC name of (N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite?
The IUPAC name of (N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite (CID 149251546) is (N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite.
What is the SMILES notation for (N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite?
The canonical SMILES for (N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite is CCCOP(C)(=S)N(SBr)c1ccccc1.
What is the InChIKey of (N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite?
The InChIKey is QOILODGPIRWYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrNOPS2/c1-3-9-13-14(2,15)12(16-11)10-7-5-4-6-8-10/h4-8H,3,9H2,1-2H3.
What are the key properties of (N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite?
(N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite has a molecular weight of 340.25 g/mol, XLogP of 4.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (N-[methyl(propoxy)phosphinothioyl]anilino) thiohypobromite is sourced from PubChem (CID 149251546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).