(2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite

C2H2Cl3NOS — CID 88848296

IUPAC(2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite
SMILESNC(=O)C(Cl)(Cl)SCl
InChIInChI=1S/C2H2Cl3NOS/c3-2(4,8-5)1(6)7/h(H2,6,7)
InChIKeyRPNKUTDYEMSBIU-UHFFFAOYSA-N
MW194.47 g/mol
LogP1.49
Rot. Bonds2

About (2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite

(2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite (PubChem CID 88848296) has the molecular formula C2H2Cl3NOS and a molecular weight of 194.47 g/mol. Its IUPAC name is (2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite.

Molecular Properties

Compound Name(2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite
PubChem CID88848296
Molecular FormulaC2H2Cl3NOS
Molecular Weight194.47 g/mol
Exact Mass192.89
IUPAC Name(2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite
SMILESNC(=O)C(Cl)(Cl)SCl
InChIInChI=1S/C2H2Cl3NOS/c3-2(4,8-5)1(6)7/h(H2,6,7)
InChIKeyRPNKUTDYEMSBIU-UHFFFAOYSA-N
XLogP1.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.47
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(1-amino-2-methyl-1-oxopropan-2-yl)azanium;chloromethane
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acetyl chloride;2,2-dimethylpropanamide
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2,2-dichloropent-3-enamide
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Frequently Asked Questions

What is the IUPAC name of (2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite?
The IUPAC name of (2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite (CID 88848296) is (2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite.
What is the SMILES notation for (2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite?
The canonical SMILES for (2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite is NC(=O)C(Cl)(Cl)SCl.
What is the InChIKey of (2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite?
The InChIKey is RPNKUTDYEMSBIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H2Cl3NOS/c3-2(4,8-5)1(6)7/h(H2,6,7).
What are the key properties of (2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite?
(2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite has a molecular weight of 194.47 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-1,1-dichloro-2-oxoethyl) thiohypochlorite is sourced from PubChem (CID 88848296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).