Basic information
- CAS
28140-93-4- Standard SMILES
N#Cc1ccc2c(c1)Sc1ccccc1N2- InChIKey
PMWFJTLZEZSXEO-UHFFFAOYSA-N- Molecular formula
- C13H8N2S
- Average molar mass
- 224.28 g/mol
- Monoisotopic mass
- 224.04081944
Names & identifiers
- Preferred name
- 10H-Phenothiazine-3-carbonitrile
- IUPAC
- 10H-phenothiazine-3-carbonitrile
- English name
- 3-CYANOPHENOTHIAZINE
- Molecular formula
- C13H8N2S
- Molecular weight
- 224.28
Names & synonyms
10H-Phenothiazine-3-carbonitrile3-CyanophenothiazinePhenothiazine-3-carbonitrileJLT2HJH4J3NSC 137200UNII-JLT2HJH4J3NSC-13720010H-Phenothiazine-3-carbonitrile (9CI)DTXSID60182412RefChem:77680DTXCID7010490328140-93-4
Show more names
Cyamemazine Impurity 8
NSC137200Phenothiazine Impurity 6Oprea1_162257SCHEMBL5114029CHEMBL3728391AKOS015964405
Database identifiers
- CAS
28140-93-4- PubChem CID
- 97617
- DTXSID
DTXSID60182412- ChEMBL
CHEMBL3728391- UNII
- JLT2HJH4J3
- EC Number
- 999-918-0
- Nikkaji
- J987.865C
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 61.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 308
Physicochemical properties
- Melting point
- 204 °C · 204 °C
- Boiling point
- 429.8 · 429.8±34.0 °C(Predicted)
- Density
- 1.38 · 1.38±0.1 g/cm3(Predicted)
- pka
- -4.09 · -4.09±0.20(Predicted)
- FDA UNII
- 2 HJH4J3 · JLT2HJH4J3
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
H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]
P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Sens. 1 (100%)
Chemistry & industry
Suppliers6 total
济南百隆化学有限公司[email protected] · [email protected]
广州隽沐生物科技股份有限公司020-36607679; 13502246435 · [email protected]
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
河南利恩化工产品有限公司0371-63357898 15378766539 · [email protected]
Standardpharm Co. Ltd.86-714-3992388 · [email protected]
湖北清北云研医药科技有限责任公司18162595016; 18162595016 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…