N-dichlorophosphinothioyloxypropan-1-amine

C3H8Cl2NOPS — CID 129187979

IUPACN-dichlorophosphinothioyloxypropan-1-amine
SMILESCCCNOP(=S)(Cl)Cl
InChIInChI=1S/C3H8Cl2NOPS/c1-2-3-6-7-8(4,5)9/h6H,2-3H2,1H3
InChIKeyPDBKQISSCVAHKH-UHFFFAOYSA-N
MW208.05 g/mol
LogP2.62
Rot. Bonds4

About N-dichlorophosphinothioyloxypropan-1-amine

N-dichlorophosphinothioyloxypropan-1-amine (PubChem CID 129187979) has the molecular formula C3H8Cl2NOPS and a molecular weight of 208.05 g/mol. Its IUPAC name is N-dichlorophosphinothioyloxypropan-1-amine.

Molecular Properties

Compound NameN-dichlorophosphinothioyloxypropan-1-amine
PubChem CID129187979
Molecular FormulaC3H8Cl2NOPS
Molecular Weight208.05 g/mol
Exact Mass206.94
IUPAC NameN-dichlorophosphinothioyloxypropan-1-amine
SMILESCCCNOP(=S)(Cl)Cl
InChIInChI=1S/C3H8Cl2NOPS/c1-2-3-6-7-8(4,5)9/h6H,2-3H2,1H3
InChIKeyPDBKQISSCVAHKH-UHFFFAOYSA-N
XLogP2.62
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-dichlorophosphinothioyloxypropan-1-amine?
The IUPAC name of N-dichlorophosphinothioyloxypropan-1-amine (CID 129187979) is N-dichlorophosphinothioyloxypropan-1-amine.
What is the SMILES notation for N-dichlorophosphinothioyloxypropan-1-amine?
The canonical SMILES for N-dichlorophosphinothioyloxypropan-1-amine is CCCNOP(=S)(Cl)Cl.
What is the InChIKey of N-dichlorophosphinothioyloxypropan-1-amine?
The InChIKey is PDBKQISSCVAHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8Cl2NOPS/c1-2-3-6-7-8(4,5)9/h6H,2-3H2,1H3.
What are the key properties of N-dichlorophosphinothioyloxypropan-1-amine?
N-dichlorophosphinothioyloxypropan-1-amine has a molecular weight of 208.05 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dichlorophosphinothioyloxypropan-1-amine is sourced from PubChem (CID 129187979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).