N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine

C12H17ClNO2PS — CID 172750821

IUPACN-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine
SMILESOP(=S)(NC1CCCCC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClNO2PS/c13-10-6-8-12(9-7-10)16-17(15,18)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,14,15,18)
InChIKeyKISAEUZFLQVBCG-UHFFFAOYSA-N
MW305.77 g/mol
LogP3.86
Rot. Bonds4

About N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine

N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine (PubChem CID 172750821) has the molecular formula C12H17ClNO2PS and a molecular weight of 305.77 g/mol. Its IUPAC name is N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine.

Molecular Properties

Compound NameN-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine
PubChem CID172750821
Molecular FormulaC12H17ClNO2PS
Molecular Weight305.77 g/mol
Exact Mass305.04
IUPAC NameN-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine
SMILESOP(=S)(NC1CCCCC1)Oc1ccc(Cl)cc1
InChIInChI=1S/C12H17ClNO2PS/c13-10-6-8-12(9-7-10)16-17(15,18)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,14,15,18)
InChIKeyKISAEUZFLQVBCG-UHFFFAOYSA-N
XLogP3.86
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Zytron
CID 9299
Phosphoramidothioic acid, O,O-bis(p-chlorophenyl) ester
CID 99242
O-3-chlorophenyl N-propyl phosphoramidate
CID 129718117
2-(4-Chlorophenoxy)-1,3,2lambda5-oxazaphosphinane 2-oxide
CID 15259233
N-[(2,6-dichlorophenoxy)-hydroxyphosphinothioyl]propan-2-amine
CID 21522241
N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]methanamine
CID 21522246
potassium N-[(4-chlorophenoxy)-oxidophosphinothioyl]methanamine
CID 23715458
N-bis(2-chlorophenoxy)phosphorylhexan-1-amine
CID 25064760
N-bis(4-chlorophenoxy)phosphinothioylcyclohexanamine
CID 54118874
azane;N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine
CID 69725499
CID 70504295
CID 70504295
N-[(2,4-dichlorophenoxy)-methoxyphosphinothioyl]propan-2-amine;hydron
CID 71089665

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine?
The IUPAC name of N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine (CID 172750821) is N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine.
What is the SMILES notation for N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine?
The canonical SMILES for N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine is OP(=S)(NC1CCCCC1)Oc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine?
The InChIKey is KISAEUZFLQVBCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClNO2PS/c13-10-6-8-12(9-7-10)16-17(15,18)14-11-4-2-1-3-5-11/h6-9,11H,1-5H2,(H2,14,15,18).
What are the key properties of N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine?
N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine has a molecular weight of 305.77 g/mol, XLogP of 3.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenoxy)-hydroxyphosphinothioyl]cyclohexanamine is sourced from PubChem (CID 172750821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).