[cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane

C28H53NP2S2 — CID 88546870

IUPAC[cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane
SMILESS=P(NP(=S)(C1CCCCCC1)C1CCCCCC1)(C1CCCCCC1)C1CCCCCC1
InChIInChI=1S/C28H53NP2S2/c32-30(25-17-9-1-2-10-18-25,26-19-11-3-4-12-20-26)29-31(33,27-21-13-5-6-14-22-27)28-23-15-7-8-16-24-28/h25-28H,1-24H2,(H,29,32,33)
InChIKeyNRFSQSMTVCVUCY-UHFFFAOYSA-N
MW529.82 g/mol
LogP10.26
Rot. Bonds6

About [cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane

[cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane (PubChem CID 88546870) has the molecular formula C28H53NP2S2 and a molecular weight of 529.82 g/mol. Its IUPAC name is [cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane.

Molecular Properties

Compound Name[cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane
PubChem CID88546870
Molecular FormulaC28H53NP2S2
Molecular Weight529.82 g/mol
Exact Mass529.31
IUPAC Name[cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane
SMILESS=P(NP(=S)(C1CCCCCC1)C1CCCCCC1)(C1CCCCCC1)C1CCCCCC1
InChIInChI=1S/C28H53NP2S2/c32-30(25-17-9-1-2-10-18-25,26-19-11-3-4-12-20-26)29-31(33,27-21-13-5-6-14-22-27)28-23-15-7-8-16-24-28/h25-28H,1-24H2,(H,29,32,33)
InChIKeyNRFSQSMTVCVUCY-UHFFFAOYSA-N
XLogP10.26
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500529.82
LogP ≤ 510.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

dicyclohexyl-hydroxy-sulfanylidene-lambda5-phosphane
CID 14249029
cyclohexyl-N-[cyclohexyl(hydroxy)phosphoryl]phosphonamidic acid
CID 87473548
dicyclopentylphosphorylcyclohexane
CID 177406372
N-[(cyclohexylamino)-methylphosphinothioyl]cyclohexanamine
CID 23412980
N-[cyclohexyl(methoxy)phosphinothioyl]-N-methylmethanamine
CID 12584056
dicyclohexyl-(10-dicyclohexylphosphinothioylsulfanyldecylsulfanyl)-sulfanylidene-λ5-phosphane
CID 21391614
di(cyclooctyl)phosphinic acid
CID 15243623
bis(dicyclohexyl-sulfanylidene-sulfido-λ5-phosphane);ethenylsulfanylethene
CID 21391618
ruthenium(2+);tricyclohexyl(ethoxymethylidene)-λ5-phosphane;dichloride
CID 173138141
cyclohexyl-methyl-morpholin-4-yl-sulfanylidene-lambda5-phosphane
CID 559825
thionitrosocyclohexane
CID 58392811
1-cyclohexyl-N-[(cyclohexylmethylamino)-sulfanylphosphinothioyl]methanamine
CID 122186104

Frequently Asked Questions

What is the IUPAC name of [cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane?
The IUPAC name of [cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane (CID 88546870) is [cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane.
What is the SMILES notation for [cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane?
The canonical SMILES for [cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane is S=P(NP(=S)(C1CCCCCC1)C1CCCCCC1)(C1CCCCCC1)C1CCCCCC1.
What is the InChIKey of [cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane?
The InChIKey is NRFSQSMTVCVUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H53NP2S2/c32-30(25-17-9-1-2-10-18-25,26-19-11-3-4-12-20-26)29-31(33,27-21-13-5-6-14-22-27)28-23-15-7-8-16-24-28/h25-28H,1-24H2,(H,29,32,33).
What are the key properties of [cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane?
[cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane has a molecular weight of 529.82 g/mol, XLogP of 10.26, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [cycloheptyl-[di(cycloheptyl)phosphinothioylamino]phosphinothioyl]cycloheptane is sourced from PubChem (CID 88546870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).