N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine

C22H26N2OP2S2 — CID 102296825

IUPACN-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine
SMILESCN(C)P(=S)(Oc1cccc(P(=S)(c2ccccc2)c2ccccc2)c1)N(C)C
InChIInChI=1S/C22H26N2OP2S2/c1-23(2)27(29,24(3)4)25-19-12-11-17-22(18-19)26(28,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18H,1-4H3
InChIKeyDBFHRQRWILFPDZ-UHFFFAOYSA-N
MW460.55 g/mol
LogP4.17
Rot. Bonds7

About N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine

N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine (PubChem CID 102296825) has the molecular formula C22H26N2OP2S2 and a molecular weight of 460.55 g/mol. Its IUPAC name is N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine.

Molecular Properties

Compound NameN-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine
PubChem CID102296825
Molecular FormulaC22H26N2OP2S2
Molecular Weight460.55 g/mol
Exact Mass460.10
IUPAC NameN-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine
SMILESCN(C)P(=S)(Oc1cccc(P(=S)(c2ccccc2)c2ccccc2)c1)N(C)C
InChIInChI=1S/C22H26N2OP2S2/c1-23(2)27(29,24(3)4)25-19-12-11-17-22(18-19)26(28,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18H,1-4H3
InChIKeyDBFHRQRWILFPDZ-UHFFFAOYSA-N
XLogP4.17
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.55
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3-diphenylphosphinothioyloxyphenyl)-diphenyl-sulfanylidene-λ5-phosphane
CID 102296827
N-[[8-[bis(dimethylamino)phosphinothioyloxy]naphthalen-2-yl]oxy-(dimethylamino)phosphinothioyl]-N-methylmethanamine
CID 16761247
phenoxy-diphenyl-sulfanylidene-lambda5-phosphane
CID 13410918
(3-methylphenoxy)-diphenoxy-sulfanylidene-λ5-phosphane
CID 89083431
dibenzo-p-dioxin-2-yl-diphenyl-sulfanylidene-λ5-phosphane
CID 126501807
[amino-[amino(methyl)amino]phosphinothioyl]oxybenzene
CID 12736192
phenoxy-phenyl-silyl-sulfanylidene-λ5-phosphane
CID 174962173
bis(3-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane
CID 57106776
N-methyl-N-[methyl(phenoxy)phosphoryl]methanamine
CID 102289080
O-phenyl N,N-dimethylcarbamothioate;propane
CID 145493124
1,3-bis[[methyl(phenoxy)phosphoryl]oxy]benzene;ethane
CID 160703248
N-[chloro-(3-nitrophenoxy)phosphinothioyl]-N-methylmethanamine
CID 54037339

Frequently Asked Questions

What is the IUPAC name of N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine?
The IUPAC name of N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine (CID 102296825) is N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine.
What is the SMILES notation for N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine?
The canonical SMILES for N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine is CN(C)P(=S)(Oc1cccc(P(=S)(c2ccccc2)c2ccccc2)c1)N(C)C.
What is the InChIKey of N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine?
The InChIKey is DBFHRQRWILFPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2OP2S2/c1-23(2)27(29,24(3)4)25-19-12-11-17-22(18-19)26(28,20-13-7-5-8-14-20)21-15-9-6-10-16-21/h5-18H,1-4H3.
What are the key properties of N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine?
N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine has a molecular weight of 460.55 g/mol, XLogP of 4.17, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[dimethylamino-(3-diphenylphosphinothioylphenoxy)phosphinothioyl]-N-methylmethanamine is sourced from PubChem (CID 102296825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).