Basic information
- CAS
6662-87-9- Standard SMILES
Clc1ccc2nsnc2c1Cl- InChIKey
KIVCXURCZYKYDK-UHFFFAOYSA-N- Molecular formula
- C6H2Cl2N2S
- Average molar mass
- 205.06 g/mol
- Monoisotopic mass
- 203.9315746
Names & identifiers
- Preferred name
- 4,5-Dichloro-2,1,3-benzothiadiazole
- IUPAC
- 4,5-dichloro-2,1,3-benzothiadiazole
- English name
- 4,5-dichlorobenzo[c][1,2,5]thiadiazole
- Molecular formula
- C6H2Cl2N2S
- Molecular weight
- 205.06
Names & synonyms
4,5-dichloro-2,1,3-benzothiadiazole6662-87-9NSC2027204,5-dichlorobenzo[c][1,2,5]thiadiazoleDTXSID20308217NSC-2027202,1,3-Benzothiadiazole, 4,5-dichloro-
Database identifiers
- CAS
6662-87-9- PubChem CID
- 305682
- DTXSID
DTXSID20308217
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 54 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 158
Physicochemical properties
- Melting point
- 112 · 112-113 °C
- Boiling point
- 288 · 288.0±20.0 °C(Predicted)
- Density
- 1.662 · 1.662±0.06 g/cm3(Predicted)
- pka
- -1.81 · -1.81±0.48(Predicted)
Chemistry & industry
Suppliers2 total
河南普赛化工产品有限公司0371-60919097 15378766539 · [email protected]
南京康满林化工实业有限公司025-83697070 13770331960 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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