1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane

C12H29NP2S2 — CID 87562223

IUPAC1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane
SMILESCCCP(=S)(CCC)NP(=S)(CCC)CCC
InChIInChI=1S/C12H29NP2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-12H2,1-4H3,(H,13,16,17)
InChIKeyMWZJJQUAYBYYPQ-UHFFFAOYSA-N
MW313.45 g/mol
LogP5.01
Rot. Bonds10

About 1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane

1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane (PubChem CID 87562223) has the molecular formula C12H29NP2S2 and a molecular weight of 313.45 g/mol. Its IUPAC name is 1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane.

Molecular Properties

Compound Name1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane
PubChem CID87562223
Molecular FormulaC12H29NP2S2
Molecular Weight313.45 g/mol
Exact Mass313.12
IUPAC Name1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane
SMILESCCCP(=S)(CCC)NP(=S)(CCC)CCC
InChIInChI=1S/C12H29NP2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-12H2,1-4H3,(H,13,16,17)
InChIKeyMWZJJQUAYBYYPQ-UHFFFAOYSA-N
XLogP5.01
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500313.45
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[di(tetradecyl)phosphinothioylamino]-tetradecylphosphinothioyl]tetradecane
CID 87562653
1-[[di(icosyl)phosphinothioylamino]-icosylphosphinothioyl]icosane
CID 87562309
butane;tetrasulfide;dithiophosphate
CID 21199892
diethoxy-propyl-sulfanylidene-λ5-phosphane
CID 86135567
N-[methylamino(propyl)phosphoryl]methanamine
CID 88626669
phenyl-dipropyl-sulfanylidene-λ5-phosphane
CID 135075774
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173340362
bis(pentane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222128
bis(hexane);tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222467
N-[amino(propylamino)phosphinothioyl]propan-1-amine
CID 165357637
dibutyl-sulfanyl-sulfanylidene-λ5-phosphane;titanium
CID 174932209
sodium dibutyl-oxido-sulfanylidene-λ5-phosphane
CID 23690563

Frequently Asked Questions

What is the IUPAC name of 1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane?
The IUPAC name of 1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane (CID 87562223) is 1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane.
What is the SMILES notation for 1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane?
The canonical SMILES for 1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane is CCCP(=S)(CCC)NP(=S)(CCC)CCC.
What is the InChIKey of 1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane?
The InChIKey is MWZJJQUAYBYYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H29NP2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-12H2,1-4H3,(H,13,16,17).
What are the key properties of 1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane?
1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane has a molecular weight of 313.45 g/mol, XLogP of 5.01, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(dipropylphosphinothioylamino)-propylphosphinothioyl]propane is sourced from PubChem (CID 87562223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).