2-(decylamino)ethyl thiohypochlorite

C12H26ClNS — CID 121462372

IUPAC2-(decylamino)ethyl thiohypochlorite
SMILESCCCCCCCCCCNCCSCl
InChIInChI=1S/C12H26ClNS/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13/h14H,2-12H2,1H3
InChIKeyJJKLKRKRZKATPZ-UHFFFAOYSA-N
MW251.87 g/mol
LogP4.60
Rot. Bonds12

About 2-(decylamino)ethyl thiohypochlorite

2-(decylamino)ethyl thiohypochlorite (PubChem CID 121462372) has the molecular formula C12H26ClNS and a molecular weight of 251.87 g/mol. Its IUPAC name is 2-(decylamino)ethyl thiohypochlorite.

Molecular Properties

Compound Name2-(decylamino)ethyl thiohypochlorite
PubChem CID121462372
Molecular FormulaC12H26ClNS
Molecular Weight251.87 g/mol
Exact Mass251.15
IUPAC Name2-(decylamino)ethyl thiohypochlorite
SMILESCCCCCCCCCCNCCSCl
InChIInChI=1S/C12H26ClNS/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13/h14H,2-12H2,1H3
InChIKeyJJKLKRKRZKATPZ-UHFFFAOYSA-N
XLogP4.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.87
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
N-(2-methylsulfanylethyl)decan-1-amine
CID 60669485
N-(2-ethylsulfanylethyl)hexan-1-amine
CID 62578167
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-butyltetradecan-1-amine
CID 3548872
methane;N-octyloctan-1-amine
CID 87294693
N-hexylhexan-1-amine;hydrochloride
CID 519999

Frequently Asked Questions

What is the IUPAC name of 2-(decylamino)ethyl thiohypochlorite?
The IUPAC name of 2-(decylamino)ethyl thiohypochlorite (CID 121462372) is 2-(decylamino)ethyl thiohypochlorite.
What is the SMILES notation for 2-(decylamino)ethyl thiohypochlorite?
The canonical SMILES for 2-(decylamino)ethyl thiohypochlorite is CCCCCCCCCCNCCSCl.
What is the InChIKey of 2-(decylamino)ethyl thiohypochlorite?
The InChIKey is JJKLKRKRZKATPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26ClNS/c1-2-3-4-5-6-7-8-9-10-14-11-12-15-13/h14H,2-12H2,1H3.
What are the key properties of 2-(decylamino)ethyl thiohypochlorite?
2-(decylamino)ethyl thiohypochlorite has a molecular weight of 251.87 g/mol, XLogP of 4.60, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(decylamino)ethyl thiohypochlorite is sourced from PubChem (CID 121462372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).