Basic information
- CAS
1982760-64-4- Standard SMILES
CN1CCN(c2nsnc2Cl)CC1- InChIKey
ZRMQQSPQSSQVRR-UHFFFAOYSA-N- Molecular formula
- C7H11ClN4S
- Average molar mass
- 218.71 g/mol
- Monoisotopic mass
- 218.0392952
Names & identifiers
- Preferred name
- 1-(4-Chloro-1,2,5-thiadiazol-3-yl)-4-methylpiperazine
- IUPAC
- 3-chloro-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazole
- English name
- 1-(4-CHLORO-[1,2,5]THIADIAZOL-3-YL)-4-METHYL-PIPERAZINE
- Molecular formula
- C7H11ClN4S
- Molecular weight
- 218.71
Names & synonyms
870987-89-61-(4-chloro-1,2,5-thiadiazol-3-yl)-4-methylpiperazine3-chloro-4-(4-methylpiperazin-1-yl)-1,2,5-thiadiazoleSCHEMBL4555571WLZ2913ZRMQQSPQSSQVRR-UHFFFAOYSA-NALBB-006990MFCD05668091STK504226AKOS000266685VS-03736CS-0322191
Show more names
AKOS BB-97341-(4-CHLORO-[1,2,5]THIADIAZOL-3-YL)-4-METHYL-PIPERAZINE1-(4-chloro-1,2,5-thiadiazol-3-yl)-4-methylpiperazine hydrochloride
4-(4-methylpiperazin-1-yl)-3-chloro-1,2,5-thiadiazole4-(4-methypiperazin-1-yl)-3-chloro-1,2,5-thiadiazoleF2167-4642
Database identifiers
- CAS
1982760-64-4- PubChem CID
- 2772139
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 60.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 174
Physicochemical properties
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…