2-aminoethyl thiohypochlorite

C2H6ClNS — CID 87121538

IUPAC2-aminoethyl thiohypochlorite
SMILESNCCSCl
InChIInChI=1S/C2H6ClNS/c3-5-2-1-4/h1-2,4H2
InChIKeyYYXOTVGPBUXDHS-UHFFFAOYSA-N
MW111.60 g/mol
LogP0.83
Rot. Bonds2

About 2-aminoethyl thiohypochlorite

2-aminoethyl thiohypochlorite (PubChem CID 87121538) has the molecular formula C2H6ClNS and a molecular weight of 111.60 g/mol. Its IUPAC name is 2-aminoethyl thiohypochlorite.

Molecular Properties

Compound Name2-aminoethyl thiohypochlorite
PubChem CID87121538
Molecular FormulaC2H6ClNS
Molecular Weight111.60 g/mol
Exact Mass110.99
IUPAC Name2-aminoethyl thiohypochlorite
SMILESNCCSCl
InChIInChI=1S/C2H6ClNS/c3-5-2-1-4/h1-2,4H2
InChIKeyYYXOTVGPBUXDHS-UHFFFAOYSA-N
XLogP0.83
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.60
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-aminoethyldisulfanyl)ethanamine
CID 2915
CID 159340027
CID 159340027
2-(2-aminoethyldisulfanyl)ethanamine;(aminomethyldisulfanyl)methanamine
CID 160817731
2-ethynylsulfanylethanamine
CID 118363855
methanol;2-methylsulfanylethanamine
CID 159726964
2-(2-aminoethylsulfanyl)propane-1,3-diamine
CID 87634594
2-(2-aminoethylsulfanyl)ethanethiol
CID 12539289
2-ethylsulfanylethanamine;hydrochloride
CID 3016870
3,3,3-trifluoropropyl thiohypochlorite
CID 126694031
2-propan-2-ylsulfanylethanamine
CID 15111098
2-(difluoromethylsulfanyl)ethanamine
CID 43249706
2-cyclopropylsulfanylethanamine
CID 58684646

Frequently Asked Questions

What is the IUPAC name of 2-aminoethyl thiohypochlorite?
The IUPAC name of 2-aminoethyl thiohypochlorite (CID 87121538) is 2-aminoethyl thiohypochlorite.
What is the SMILES notation for 2-aminoethyl thiohypochlorite?
The canonical SMILES for 2-aminoethyl thiohypochlorite is NCCSCl.
What is the InChIKey of 2-aminoethyl thiohypochlorite?
The InChIKey is YYXOTVGPBUXDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6ClNS/c3-5-2-1-4/h1-2,4H2.
What are the key properties of 2-aminoethyl thiohypochlorite?
2-aminoethyl thiohypochlorite has a molecular weight of 111.60 g/mol, XLogP of 0.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminoethyl thiohypochlorite is sourced from PubChem (CID 87121538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).