(ethylsulfonylamino)methyl thiohypochlorite

C3H8ClNO2S2 — CID 57309858

IUPAC(ethylsulfonylamino)methyl thiohypochlorite
SMILESCCS(=O)(=O)NCSCl
InChIInChI=1S/C3H8ClNO2S2/c1-2-9(6,7)5-3-8-4/h5H,2-3H2,1H3
InChIKeyLZITWBFRWVYZEP-UHFFFAOYSA-N
MW189.69 g/mol
LogP0.77
Rot. Bonds4

About (ethylsulfonylamino)methyl thiohypochlorite

(ethylsulfonylamino)methyl thiohypochlorite (PubChem CID 57309858) has the molecular formula C3H8ClNO2S2 and a molecular weight of 189.69 g/mol. Its IUPAC name is (ethylsulfonylamino)methyl thiohypochlorite.

Molecular Properties

Compound Name(ethylsulfonylamino)methyl thiohypochlorite
PubChem CID57309858
Molecular FormulaC3H8ClNO2S2
Molecular Weight189.69 g/mol
Exact Mass188.97
IUPAC Name(ethylsulfonylamino)methyl thiohypochlorite
SMILESCCS(=O)(=O)NCSCl
InChIInChI=1S/C3H8ClNO2S2/c1-2-9(6,7)5-3-8-4/h5H,2-3H2,1H3
InChIKeyLZITWBFRWVYZEP-UHFFFAOYSA-N
XLogP0.77
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (ethylsulfonylamino)methyl thiohypochlorite?
The IUPAC name of (ethylsulfonylamino)methyl thiohypochlorite (CID 57309858) is (ethylsulfonylamino)methyl thiohypochlorite.
What is the SMILES notation for (ethylsulfonylamino)methyl thiohypochlorite?
The canonical SMILES for (ethylsulfonylamino)methyl thiohypochlorite is CCS(=O)(=O)NCSCl.
What is the InChIKey of (ethylsulfonylamino)methyl thiohypochlorite?
The InChIKey is LZITWBFRWVYZEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H8ClNO2S2/c1-2-9(6,7)5-3-8-4/h5H,2-3H2,1H3.
What are the key properties of (ethylsulfonylamino)methyl thiohypochlorite?
(ethylsulfonylamino)methyl thiohypochlorite has a molecular weight of 189.69 g/mol, XLogP of 0.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (ethylsulfonylamino)methyl thiohypochlorite is sourced from PubChem (CID 57309858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).