[(2,4-diethylphenyl)methylamino] thiohypochlorite

C11H16ClNS — CID 134459151

IUPAC[(2,4-diethylphenyl)methylamino] thiohypochlorite
SMILESCCc1ccc(CNSCl)c(CC)c1
InChIInChI=1S/C11H16ClNS/c1-3-9-5-6-11(8-13-14-12)10(4-2)7-9/h5-7,13H,3-4,8H2,1-2H3
InChIKeyOINSUOWYVDKNJZ-UHFFFAOYSA-N
MW229.78 g/mol
LogP3.70
Rot. Bonds5

About [(2,4-diethylphenyl)methylamino] thiohypochlorite

[(2,4-diethylphenyl)methylamino] thiohypochlorite (PubChem CID 134459151) has the molecular formula C11H16ClNS and a molecular weight of 229.78 g/mol. Its IUPAC name is [(2,4-diethylphenyl)methylamino] thiohypochlorite.

Molecular Properties

Compound Name[(2,4-diethylphenyl)methylamino] thiohypochlorite
PubChem CID134459151
Molecular FormulaC11H16ClNS
Molecular Weight229.78 g/mol
Exact Mass229.07
IUPAC Name[(2,4-diethylphenyl)methylamino] thiohypochlorite
SMILESCCc1ccc(CNSCl)c(CC)c1
InChIInChI=1S/C11H16ClNS/c1-3-9-5-6-11(8-13-14-12)10(4-2)7-9/h5-7,13H,3-4,8H2,1-2H3
InChIKeyOINSUOWYVDKNJZ-UHFFFAOYSA-N
XLogP3.70
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.78
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2,4-diethylphenyl)methyl]prop-2-yn-1-amine
CID 154954779
(2,4-diethylphenyl)methanol
CID 21414896
1-(3,4-diethylphenyl)-N-methylmethanamine
CID 115482275
1,2,4-triethylbenzene;1,2,3-trimethylbenzene
CID 160595635
1-benzyl-2,4-diethylbenzene
CID 139691839
1-[2-[2-(2,4-diethylphenyl)ethoxy]ethyl]-2,4-diethylbenzene
CID 139601632
2-(3-chloropropyl)-1,4-diethylbenzene
CID 83920895
N-[(2,4-diethylphenyl)methyl]-1-(3-methyl-4-pyridinyl)ethenamine
CID 138509717
1,4-diethyl-2-methylbenzene;ethane
CID 158451617
1,2-diethyl-4-propylbenzene
CID 54363919
4-ethyl-2-[[2-[(5-ethyl-2-hydroxyphenyl)methylamino]ethylamino]methyl]phenol
CID 3843205
2-(2,5-diethylphenyl)ethanamine
CID 117277667

Frequently Asked Questions

What is the IUPAC name of [(2,4-diethylphenyl)methylamino] thiohypochlorite?
The IUPAC name of [(2,4-diethylphenyl)methylamino] thiohypochlorite (CID 134459151) is [(2,4-diethylphenyl)methylamino] thiohypochlorite.
What is the SMILES notation for [(2,4-diethylphenyl)methylamino] thiohypochlorite?
The canonical SMILES for [(2,4-diethylphenyl)methylamino] thiohypochlorite is CCc1ccc(CNSCl)c(CC)c1.
What is the InChIKey of [(2,4-diethylphenyl)methylamino] thiohypochlorite?
The InChIKey is OINSUOWYVDKNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNS/c1-3-9-5-6-11(8-13-14-12)10(4-2)7-9/h5-7,13H,3-4,8H2,1-2H3.
What are the key properties of [(2,4-diethylphenyl)methylamino] thiohypochlorite?
[(2,4-diethylphenyl)methylamino] thiohypochlorite has a molecular weight of 229.78 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,4-diethylphenyl)methylamino] thiohypochlorite is sourced from PubChem (CID 134459151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).