2-Hydrazinyl-4,6-dinitro-1,3-benzothiazole

HCID 13985083

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Basic information

CAS: 113784-60-4
Standard SMILES: NNc1nc2c([N+](=O)[O-])cc([N+](=O)[O-])cc2s1
InChIKey: KDOMLVCIOJYCKG-UHFFFAOYSA-N
Molecular formula: C7H5N5O4S
Average molar mass: 255.21 g/mol
Monoisotopic mass: 255.00622483

Names & identifiers

Preferred name: 2-Hydrazinyl-4,6-dinitro-1,3-benzothiazole
IUPAC: (4,6-dinitro-1,3-benzothiazol-2-yl)hydrazine

Names & synonyms

113784-60-42-Hydrazinyl-4,6-dinitro-1,3-benzothiazoleSCHEMBL5188464SCHEMBL9806014SCHEMBL10429260DTXSID80553827KDOMLVCIOJYCKG-UHFFFAOYSA-N2-hydrazino-4,6-dinitrobenzthiazole

Database identifiers

CAS: 113784-60-4
PubChem CID: 13985083
DTXSID: DTXSID80553827

Properties

Computed structural properties

XLogP: 1.6
Topological polar surface area: 171 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 8
Rotatable bonds: 1
Heavy atoms: 17
Formal charge: 0
Complexity: 331

Related reactions

1 records

New reaction record

HRID 1088207As productuspto-grants-1990_10

Compound notes

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