N-dichlorophosphinothioylethanamine

C2H6Cl2NPS — CID 14249236

IUPACN-dichlorophosphinothioylethanamine
SMILESCCNP(=S)(Cl)Cl
InChIInChI=1S/C2H6Cl2NPS/c1-2-5-6(3,4)7/h2H2,1H3,(H,5,7)
InChIKeyJGLDPQCTNNNEOO-UHFFFAOYSA-N
MW178.02 g/mol
LogP2.30
Rot. Bonds2

About N-dichlorophosphinothioylethanamine

N-dichlorophosphinothioylethanamine (PubChem CID 14249236) has the molecular formula C2H6Cl2NPS and a molecular weight of 178.02 g/mol. Its IUPAC name is N-dichlorophosphinothioylethanamine.

Molecular Properties

Compound NameN-dichlorophosphinothioylethanamine
PubChem CID14249236
Molecular FormulaC2H6Cl2NPS
Molecular Weight178.02 g/mol
Exact Mass176.93
IUPAC NameN-dichlorophosphinothioylethanamine
SMILESCCNP(=S)(Cl)Cl
InChIInChI=1S/C2H6Cl2NPS/c1-2-5-6(3,4)7/h2H2,1H3,(H,5,7)
InChIKeyJGLDPQCTNNNEOO-UHFFFAOYSA-N
XLogP2.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.02
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-dimethylphosphinothioylethanamine
CID 586242
N-[chloro(ethylamino)phosphoryl]ethanamine
CID 23416057
2-bromo-N-dichlorophosphinothioylethanamine
CID 132839514
butane;tetrasulfide;dithiophosphate
CID 21199892
dichloro-ethylsulfanyl-sulfanylidene-lambda5-phosphane
CID 519205
chloro-diethoxy-sulfanylidene-λ5-phosphane
CID 160646785
N-dichlorophosphinothioyloxypropan-1-amine
CID 129187979
sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174630751
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173340362
chloro-hydroxy-pentan-3-yl-sulfanylidene-λ5-phosphane
CID 88788448
N-[amino(propylamino)phosphinothioyl]propan-1-amine
CID 165357637
chloro-fluoro-methyl-sulfanylidene-lambda5-phosphane
CID 583465

Frequently Asked Questions

What is the IUPAC name of N-dichlorophosphinothioylethanamine?
The IUPAC name of N-dichlorophosphinothioylethanamine (CID 14249236) is N-dichlorophosphinothioylethanamine.
What is the SMILES notation for N-dichlorophosphinothioylethanamine?
The canonical SMILES for N-dichlorophosphinothioylethanamine is CCNP(=S)(Cl)Cl.
What is the InChIKey of N-dichlorophosphinothioylethanamine?
The InChIKey is JGLDPQCTNNNEOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6Cl2NPS/c1-2-5-6(3,4)7/h2H2,1H3,(H,5,7).
What are the key properties of N-dichlorophosphinothioylethanamine?
N-dichlorophosphinothioylethanamine has a molecular weight of 178.02 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dichlorophosphinothioylethanamine is sourced from PubChem (CID 14249236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).