6-Chloroimidazo[2,1-b][1,3]thiazole-5-carbonitrile
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Basic information
- CAS
23576-90-1- Standard SMILES
N#Cc1c(Cl)nc2sccn12- InChIKey
AZVXNMOQCHVDQG-UHFFFAOYSA-N- Molecular formula
- C6H2ClN3S
- Average molar mass
- 183.62 g/mol
- Monoisotopic mass
- 182.9657959
Names & identifiers
- Preferred name
- 6-Chloroimidazo[2,1-b][1,3]thiazole-5-carbonitrile
- IUPAC
- 6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonitrile
- English name
- 6-CHLOROIMIDAZO[2,1-B][1,3]THIAZOLE-5-CARBONITRILE
- Molecular formula
- C6H2ClN3S
- Molecular weight
- 183.62
Names & synonyms
6-chloroimidazo[2,1-b][1,3]thiazole-5-carbonitrileDTXSID203185786-chloroimidazo(2,1-b)(1,3)thiazole-5-carbonitrileRefChem:541935DTXCID50269701877-523-323576-90-16-chloroimidazo[2,1-b]thiazole-5-carbonitrileMFCD00139631Imidazo[2,1-b]thiazole-5-carbonitrile, 6-chloro-NSC 332736C6H2ClN3S
Show more names
5-cyano-6-chloroimidazothiazole6-chloro-Imidazo[2,1-b]thiazole-5-carbonitrile
NSC332736Imidazo[2,1-b]thiazole-5-carbonitrile,6-chloro-YAA57690AKOS0001242929D-095SNSC-332736NCGC00664455-01EN300-64700
Database identifiers
- CAS
23576-90-1- PubChem CID
- 333028
- DTXSID
DTXSID20318578- EC Number
- 877-523-3
Properties
Computed structural propertiesFilling in
- XLogP
- 2.9
- Topological polar surface area
- 69.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 213
Physicochemical properties
- Density
- 1.69 · 1.69±0.1 g/cm3(Predicted)
- pka
- -0.48 · -0.48±0.40(Predicted)
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 301 · P301+P310
- Hazard Codes
- T
- Risk Statements
- 25 · 25
- Safety Statements
- 45 · 45
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 3 (50%)
Safety data
- risk_code
- 25
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- hazard_code
- T
- safety_code
- 45
- Hazard statements
- H301
- Precautionary statements
- P301+P310
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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