methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate

C12H15ClN2OS — CID 146170233

IUPACmethyl N-(4-chlorophenyl)morpholine-4-carboximidothioate
SMILESCS/C(=N\c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C12H15ClN2OS/c1-17-12(15-6-8-16-9-7-15)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3/b14-12-
InChIKeyCFLVIKRLFOSWFE-OWBHPGMISA-N
MW270.79 g/mol
LogP3.02
Rot. Bonds1

About methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate

methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate (PubChem CID 146170233) has the molecular formula C12H15ClN2OS and a molecular weight of 270.79 g/mol. Its IUPAC name is methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate.

Molecular Properties

Compound Namemethyl N-(4-chlorophenyl)morpholine-4-carboximidothioate
PubChem CID146170233
Molecular FormulaC12H15ClN2OS
Molecular Weight270.79 g/mol
Exact Mass270.06
IUPAC Namemethyl N-(4-chlorophenyl)morpholine-4-carboximidothioate
SMILESCS/C(=N\c1ccc(Cl)cc1)N1CCOCC1
InChIInChI=1S/C12H15ClN2OS/c1-17-12(15-6-8-16-9-7-15)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3/b14-12-
InChIKeyCFLVIKRLFOSWFE-OWBHPGMISA-N
XLogP3.02
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.79
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate?
The IUPAC name of methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate (CID 146170233) is methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate.
What is the SMILES notation for methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate?
The canonical SMILES for methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate is CS/C(=N\c1ccc(Cl)cc1)N1CCOCC1.
What is the InChIKey of methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate?
The InChIKey is CFLVIKRLFOSWFE-OWBHPGMISA-N. The full InChI is InChI=1S/C12H15ClN2OS/c1-17-12(15-6-8-16-9-7-15)14-11-4-2-10(13)3-5-11/h2-5H,6-9H2,1H3/b14-12-.
What are the key properties of methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate?
methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate has a molecular weight of 270.79 g/mol, XLogP of 3.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-chlorophenyl)morpholine-4-carboximidothioate is sourced from PubChem (CID 146170233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).