Azaphenothiazine
Basic information
- CAS
261-96-1- Standard SMILES
c1ccc2c(c1)Nc1ncccc1S2- InChIKey
UKDZROJJLPDLDO-UHFFFAOYSA-N- Molecular formula
- C11H8N2S
- Average molar mass
- 200.26 g/mol
- Monoisotopic mass
- 200.04081944
Overview
structure in first source
Names & identifiers
- Preferred name
- Azaphenothiazine
- IUPAC
- 10H-pyrido[3,2-b][1,4]benzothiazine
- English name
- 10H-pyrido(3,2-b)(1,4)benzothiazine
- Molecular formula
- C11H8N2S
- Molecular weight
- 200.26
Names & synonyms
azaphenothiazineRefChem:77681261-96-110H-Benzo[b]pyrido[2,3-e][1,4]thiazine10H-pyrido[3,2-b][1,4]benzothiazine1-AZAPHENOTHIAZINE10H-Pyrido(3,2-b)(1,4)benzothiazine1H-Pyrido[3,2-b][1,4]benzothiazineMFCD00160449Isothipendyl Impurity 110H-Pyrido[3,2-b][1,4]benzothiazine; 1H-Pyrido[3,2-b][1,4]benzothiazine (9CI); 1-Azaphenothiazine; NSC 277720EINECS 205-973-7
Show more names
NSC 2777201-Azaphenothiazine>Isothipendyl Impurity 1Isothipendyl Impurity 210H-benzo[e]pyrido[3,2-b][1PYRIDO[3,2-B][1,4]BENZOTHIAZINE
NSC277720SCHEMBL459986SCHEMBL4760147SCHEMBL8113430SCHEMBL30401814DTXSID80180733AKOS016011192AKOS028109371
Database identifiers
- CAS
261-96-1- PubChem CID
- 67496
- DTXSID
DTXSID80180733- EC Number
- 205-973-7
- Nikkaji
- J193.693J
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 50.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 209
Physicochemical properties
- Melting point
- 110 to · 110.0 to 114.0 °C
- Boiling point
- 370 °C · 370°C(lit.)
- Density
- 1.293 · 1.293
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Dichloromethane (Slightly), DMSO (Slightly)
- pka
- 4.24 · 4.24±0.20(Predicted)
- form
- Solid
- color
- Yellow to Dark Yellow
- InChI
- InChI=1S/C11H8N2S/c1-2-5-9-8(4-1)13-11-10(14-9)6-3-7-12-11/h1-7H,(H,12,13)
- InChIKey
- UKDZROJJLPDLDO-UHFFFAOYSA-N
- SMILES
- S1C2=CC=CC=C2NC2=NC=CC=C12
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 305 · P305+P351+P338
- HS Code
- 2934.99 · 2934.99.4400
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
This chemical does not meet GHS hazard criteria for 2.3% (1 of 43) of reports.
Warning
H315 (97.7%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 43 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 10H-pyrido[3,2-b](1,4)benzothiazine (EC: 205-973-7)
Hazard Classes and CategoriesSkin Irrit. 2 (97.7%)
Safety data
- hs_code
- 2934.99.4400
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319
- REACH Registrations
- Active
- Precautionary statements
- P305+P351+P338
Chemistry & industry
Applications
Uses10H-Pyrido[3,2-b][1,4]benzothiazine has potential anti-cancer ability as seen through studies.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers
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Related reactions
0 records
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Compound notes
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