N-dimethylphosphinothioylethanamine

C4H12NPS — CID 586242

IUPACN-dimethylphosphinothioylethanamine
SMILESCCNP(C)(C)=S
InChIInChI=1S/C4H12NPS/c1-4-5-6(2,3)7/h4H2,1-3H3,(H,5,7)
InChIKeyDORGURJOOGFWQB-UHFFFAOYSA-N
MW137.19 g/mol
LogP1.25
Rot. Bonds2

About N-dimethylphosphinothioylethanamine

N-dimethylphosphinothioylethanamine (PubChem CID 586242) has the molecular formula C4H12NPS and a molecular weight of 137.19 g/mol. Its IUPAC name is N-dimethylphosphinothioylethanamine.

Molecular Properties

Compound NameN-dimethylphosphinothioylethanamine
PubChem CID586242
Molecular FormulaC4H12NPS
Molecular Weight137.19 g/mol
Exact Mass137.04
IUPAC NameN-dimethylphosphinothioylethanamine
SMILESCCNP(C)(C)=S
InChIInChI=1S/C4H12NPS/c1-4-5-6(2,3)7/h4H2,1-3H3,(H,5,7)
InChIKeyDORGURJOOGFWQB-UHFFFAOYSA-N
XLogP1.25
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 51.25
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-dichlorophosphinothioylethanamine
CID 14249236
butane;tetrasulfide;dithiophosphate
CID 21199892
N-methylmethanamine;propane;prop-1-ene;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173447150
N-[chloro(ethylamino)phosphoryl]ethanamine
CID 23416057
ethyl-hydroxy-methyl-sulfanylidene-λ5-phosphane
CID 12608714
sodium;N-ethylethanamine;hydride;trihydroxy(sulfanylidene)-λ5-phosphane
CID 174630751
diethylphosphinothioyl-dimethyl-sulfanylidene-λ5-phosphane
CID 132548484
butane;ethane;bis(trihydroxy(sulfanylidene)-λ5-phosphane);hydrochloride
CID 173340362
N-[amino(propylamino)phosphinothioyl]propan-1-amine
CID 165357637
propane;tris(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 173222318
N-[amino(butylamino)phosphinothioyl]butan-1-amine
CID 151376674
propane;titanium;bis(trihydroxy(sulfanylidene)-λ5-phosphane)
CID 175338467

Frequently Asked Questions

What is the IUPAC name of N-dimethylphosphinothioylethanamine?
The IUPAC name of N-dimethylphosphinothioylethanamine (CID 586242) is N-dimethylphosphinothioylethanamine.
What is the SMILES notation for N-dimethylphosphinothioylethanamine?
The canonical SMILES for N-dimethylphosphinothioylethanamine is CCNP(C)(C)=S.
What is the InChIKey of N-dimethylphosphinothioylethanamine?
The InChIKey is DORGURJOOGFWQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12NPS/c1-4-5-6(2,3)7/h4H2,1-3H3,(H,5,7).
What are the key properties of N-dimethylphosphinothioylethanamine?
N-dimethylphosphinothioylethanamine has a molecular weight of 137.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-dimethylphosphinothioylethanamine is sourced from PubChem (CID 586242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).