2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine

C10H15ClNOPS2 — CID 11415204

IUPAC2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine
SMILESCc1ccc(SNCCOP(C)(=S)Cl)cc1
InChIInChI=1S/C10H15ClNOPS2/c1-9-3-5-10(6-4-9)16-12-7-8-13-14(2,11)15/h3-6,12H,7-8H2,1-2H3
InChIKeyOHRVISKLMIULPS-UHFFFAOYSA-N
MW295.80 g/mol
LogP3.79
Rot. Bonds6

About 2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine

2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine (PubChem CID 11415204) has the molecular formula C10H15ClNOPS2 and a molecular weight of 295.80 g/mol. Its IUPAC name is 2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine.

Molecular Properties

Compound Name2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine
PubChem CID11415204
Molecular FormulaC10H15ClNOPS2
Molecular Weight295.80 g/mol
Exact Mass295.00
IUPAC Name2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine
SMILESCc1ccc(SNCCOP(C)(=S)Cl)cc1
InChIInChI=1S/C10H15ClNOPS2/c1-9-3-5-10(6-4-9)16-12-7-8-13-14(2,11)15/h3-6,12H,7-8H2,1-2H3
InChIKeyOHRVISKLMIULPS-UHFFFAOYSA-N
XLogP3.79
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.80
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine?
The IUPAC name of 2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine (CID 11415204) is 2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine.
What is the SMILES notation for 2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine?
The canonical SMILES for 2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine is Cc1ccc(SNCCOP(C)(=S)Cl)cc1.
What is the InChIKey of 2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine?
The InChIKey is OHRVISKLMIULPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClNOPS2/c1-9-3-5-10(6-4-9)16-12-7-8-13-14(2,11)15/h3-6,12H,7-8H2,1-2H3.
What are the key properties of 2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine?
2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine has a molecular weight of 295.80 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[chloro(methyl)phosphinothioyl]oxy-N-(4-methylphenyl)sulfanylethanamine is sourced from PubChem (CID 11415204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).