Basic information
- CAS
23503-68-6- Standard SMILES
CS(=O)(=O)c1ccc2c(c1)Nc1ccccc1S2- InChIKey
XMSALNTWEPZQLO-UHFFFAOYSA-N- Molecular formula
- C13H11NO2S2
- Average molar mass
- 277.4 g/mol
- Monoisotopic mass
- 277.02312094
Names & identifiers
- Preferred name
- 2-(methylsulphonyl)-10H-phenothiazine
- IUPAC
- 2-methylsulfonyl-10H-phenothiazine
- English name
- 2-(methylsulphonyl)-10H-phenothiazine
- Molecular formula
- C13H11NO2S2
- Molecular weight
- 277.36
Names & synonyms
2-(methylsulfonyl)-10h-phenothiazine23503-68-62-(Methylsulphonyl)-10H-phenothiazineEINECS 245-701-4DTXSID30178069RefChem:461410DTXCID10100560245-701-42-methylsulfonyl-10H-phenothiazine2-(Methylsulfonyl) Phenothiazine10H-Phenothiazine, 2-(methylsulfonyl)-MFCD20926232
Show more names
10H-Phenothiazine,2-(Methylsulfonyl)
Metopimazine Impurity 22-methanesulfonyl-10H-phenothiazine10H-Phenothiazine, 2-(methylsulfonyl)-; Phenothiazine, 2-(methylsulfonyl)- (6CI,8CI)2-(Methylsulfonyl)Sulforidazine M (ring)10H-PHENOTHIAZINE, 2-(METHYLSULFONYL)2-methylsulfonyl phenothiazineSCHEMBL8941201
Database identifiers
- CAS
23503-68-6- PubChem CID
- 90134
- DTXSID
DTXSID30178069- ChEMBL
CHEMBL4748156- EC Number
- 245-701-4
- Nikkaji
- J228.983K
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 79.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 404
Physicochemical properties
- Melting point
- 156.5 · 156.5-158.0 °C
- Boiling point
- 524.1 · 524.1±50.0 °C(Predicted)
- Density
- 1.363 · 1.363±0.06 g/cm3(Predicted)
- storage temp.
- Sealed in dry,Room Temperature
- solubility
- Chloroform (Slightly), DMSO (Slightly), Methanol (Slightly)
- form
- Solid
- pka
- -3.17 · -3.17±0.20(Predicted)
- color
- Light Yellow to Green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 271 · P271-P261-P280
- HS Code
- 2934309090 · 2934309090
- REACH Registrations
- Active
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
H302 (77.8%): Harmful if swallowed [Warning Acute toxicity, oral]
P203, P260, P261, P264, P264+P265, P270, P271, P272, P273, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 9 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Regulatory InformationREACH registered substance: 2-(methylsulphonyl)-10H-phenothiazine (EC: 245-701-4)
Hazard Classes and CategoriesAcute Tox. 4 (77.8%)
Safety data
- hs_code
- 2934309090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- REACH Registrations
- Active
- Precautionary statements
- P271-P261-P280
Chemistry & industry
Applications
UsesPhenothiazine (P318040) derivative.
Upstream & downstream products
Upstream raw materials
Suppliers69 total
北京诺德恒信化工技术有限公司010-84929330 13811281791 · [email protected]
艾吉析科技（上海）有限公司17717235263 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]
Suzhou ARTK Medchem Co., Ltd.+86-18168183658 · [email protected]
苏州合森医药科技有限公司17621975170; 17621975170 · [email protected]
Syntechem Co.,Ltd
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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