5-Chloro-3-(4-nitrophenyl)-1,2,4-thiadiazole

HCID 20216376CAS 88541-07-5
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Basic information

Standard SMILES
O=[N+]([O-])c1ccc(-c2nsc(Cl)n2)cc1
InChIKey
GULLVHSUPXBMAI-UHFFFAOYSA-N
Molecular formula
C8H4ClN3O2S
Average molar mass
241.66 g/mol
Monoisotopic mass
240.97127505

Names & identifiers

Preferred name
5-Chloro-3-(4-nitrophenyl)-1,2,4-thiadiazole
IUPAC
5-chloro-3-(4-nitrophenyl)-1,2,4-thiadiazole

Names & synonyms

5-Chloro-3-(4-nitrophenyl)-1,2,4-thiadiazole88541-07-51,2,4-Thiadiazole, 5-chloro-3-(4-nitrophenyl)-MFCD14707346SCHEMBL10749315DTXSID30603684GULLVHSUPXBMAI-UHFFFAOYSA-NNDA54107AKOS014601677G53979EN300-12662265-Chloro-3-(4-nitro-phenyl)-1,2,4-thiadiazole

Database identifiers

CAS
88541-07-5
PubChem CID
20216376
DTXSID
DTXSID30603684

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
99.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
1
Heavy atoms
15

Related reactions

2 records
New reaction record

Linked notes

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