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Basic information
- CAS
3152-86-1- Standard SMILES
Cc1c([N+](=O)[O-])ccc2nsnc12- InChIKey
DPSRILHICZFGPP-UHFFFAOYSA-N- Molecular formula
- C7H5N3O2S
- Average molar mass
- 195.2 g/mol
- Monoisotopic mass
- 195.0102474
Names & identifiers
- Preferred name
- 2,1,3-Benzothiadiazole, 4-methyl-5-nitro-
- IUPAC
- 4-methyl-5-nitro-2,1,3-benzothiadiazole
Names & synonyms
3152-86-12,1,3-Benzothiadiazole, 4-methyl-5-nitro-DTXSID20350291RefChem:241850DTXCID803013604-methyl-5-nitrobenzo[c][1,2,5]thiadiazole4-methyl-5-nitro-2,1,3-benzothiadiazole4-Methyl-5-nitro-benzo[1,2,5]thiadiazoleSCHEMBL3180323DPSRILHICZFGPP-UHFFFAOYSA-NAKOS000540969AKOS001586306
Show more names
4-methyl-5-nitrobenzo-2,1,3-thiadiazoleEU-00002224-Methyl-5-nitro-benzo [1,2,5]thiadiazoleAG-690/32535010SR-01000389720SR-01000389720-17-methyl-6-nitro-2,1,3-benzothiadiazol-2-io-1-ide
Database identifiers
- CAS
3152-86-1- PubChem CID
- 676446
- DTXSID
DTXSID20350291
Properties
Computed structural propertiesFilling in
- XLogP
- 2
- Topological polar surface area
- 99.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 220
Related reactions
9 records
Compound notes
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