Basic information
- CAS
84-08-2- Standard SMILES
c1ccc2c(c1)Sc1ccccc1N2CCN1CCCC1- InChIKey
KJKJUXGEMYCCJN-UHFFFAOYSA-N- Molecular formula
- C18H20N2S
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.13471982
Overview
Parathiazine is a member of phenothiazines.
Names & identifiers
- Preferred name
- 10-(2-(1-Pyrrolidinyl)ethyl)-10H-phenothiazine
- IUPAC
- 10-(2-pyrrolidin-1-ylethyl)phenothiazine
- English name
- Parathiazine
- Molecular formula
- C18H20N2S
- Molecular weight
- 296.43
Names & synonyms
PyrathiazineParathiazine84-08-210-(2-(1-Pyrrolidyl)ethyl)phenothiazineDTXSID204625210-(2-(1-Pyrrolidinyl)ethyl)phenothiazine2305SQ56Z2DTXCID002625210-[2-(1-Pyrrolidinyl)ethyl]-10H-phenothiazine10-[2-(1-Pyrrolidinyl)ethyl]phenothiazine10-(2-(1-Pyrrolidinyl)ethyl)-10H-phenothiazineRefChem:870411
Show more names
10-(2-PYRROLIDINOETHYL)PHENOTHIAZINE10H-Phenothiazine, 10-[2-(1-pyrrolidinyl)ethyl]-
Paratiazina10-(2-pyrrolidin-1-ylethyl)phenothiazinePyrrolidino-aethyl-phenthiazinParathiazine [INN]Pyrrolidine, 1-(2-phenothiazin-10-ylethyl)-10-(2-(Pyrrolidin-1-yl)ethyl)-10H-phenothiazine10-[2-(pyrrolidin-1-yl)ethyl]-10H-phenothiazineNCGC00160599-01
Database identifiers
- CAS
84-08-2- PubChem CID
- 10646
- DTXSID
DTXSID2046252- ChEMBL
CHEMBL1887666- ChEBI
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 31.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 320
Physicochemical properties
- Boiling point
- 222 · 222-226°C
- Density
- 1.1356 · 1.1356 (rough estimate)
- refractive index
- 1.6 · 1.6000 (estimate)
- pka
- 8.91 · pKa 8.91(H2O (extrap) t = 24±1 I 0.002) (Uncertain)
- color
- Brown oil
- FDA UNII
- 2305 SQ56Z2 · 2305SQ56Z2
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 413 · H413-H315-H335-H319-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- Toxicity
- 50 orl-mus: · LD50 orl-mus: 707 mg/kg ARZNAD 7,237,57
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
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 39 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. 4 (100%)
Safety data
- Toxicity
- LD50 orl-mus: 707 mg/kg ARZNAD 7,237,57
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H413-H315-H335-H319-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Additional notes
DefinitionChEBI: Parathiazine is a member of phenothiazines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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