5-Acetylamino-3-methyl-4-nitroisothiazole

HCID 352525

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Basic information

CAS: 88394-22-3
Standard SMILES: CC(=O)Nc1snc(C)c1[N+](=O)[O-]
InChIKey: OGWKKBVTBYBCOW-UHFFFAOYSA-N
Molecular formula: C6H7N3O3S
Average molar mass: 201.21 g/mol
Monoisotopic mass: 201.02081227

Names & identifiers

Preferred name: 5-Acetylamino-3-methyl-4-nitroisothiazole
IUPAC: N-(3-methyl-4-nitro-1,2-thiazol-5-yl)acetamide

Names & synonyms

88394-22-3NSC5267845-Acetylamino-3-methyl-4-nitroisothiazoleSCHEMBL4422357OGWKKBVTBYBCOW-UHFFFAOYSA-NDTXSID101008135NSC-526784DS-011579N-(3-METHYL-4-NITRO-THIAZOL-5-YL)ACETAMIDEN-(3-Methyl-4-nitro-1,2-thiazol-5-yl)ethanimidic acid

Database identifiers

CAS: 88394-22-3
PubChem CID: 352525
DTXSID: DTXSID101008135

Properties

Computed structural properties

XLogP: 1.3
Topological polar surface area: 116 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 5
Rotatable bonds: 1
Heavy atoms: 13
Formal charge: 0
Complexity: 230

Related reactions

1 records

New reaction record

HRID 1591034As productuspto-grants-1993_04

Compound notes

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