Basic information
- CAS
25025-59-6- Standard SMILES
CC(=O)SCC[N+](C)(C)C.[Br-]- InChIKey
HQAPREJURVMGMB-UHFFFAOYSA-M- Molecular formula
- C7H16BrNOS
- Average molar mass
- 242.18 g/mol
- Monoisotopic mass
- 241.0136
Names & identifiers
- Preferred name
- 2-Acetylthioethyltrimethylammonium bromide
- IUPAC
- 2-acetylsulfanylethyl(trimethyl)azanium bromide
- English name
- S-ACETYLTHIOCHOLINE BROMIDE
- Molecular formula
- C7H16BrNOS
- Molecular weight
- 242.18
Names & synonyms
2-Acetylthioethyltrimethylammonium bromideEINECS 246-570-6RefChem:462873246-570-625025-59-6Acetylthiocholine bromides-Acetylthiocholine bromide2-(Acetylthio)-N,N,N-trimethylethanaminium bromide2-acetylsulfanylethyl(trimethyl)azanium;bromideC7H16BrNOSSCHEMBL7172548DTXSID60947886
Show more names
2-(Acetylthio)S-AcetylthiocholineAcetylthiochline BromideS-Acetylthiocholine bromide,99%S-ACETYLTHIOCHOLINE BROMIDE 98%-N,N,N-trimethylethanaminium bromide[2-(Acetylthio)ethyl]trimethylaminium·bromide2-acetylsulfanylethyl(trimethyl)azanium,bromide
HQAPREJURVMGMB-UHFFFAOYSA-MMFCD00011818AKOS015898764EA66467NS00084047[2-(Acetylthio)ethyl]trimethylammonium bromide2-acetylsulfanylethyl(trimethyl)ammonium;bromide2-(acetylthio)-N,N,N-trimethylethan-1-aminium bromide
Database identifiers
- CAS
25025-59-6
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 117
Physicochemical properties
- Melting point
- 217 · 217-223 °C (dec.)(lit.)
- Density
- 1.305 · 1.3050 (estimate)
- storage temp.
- 20 °C · −20°C
- CAS DataBase Reference
- 25025 · 25025-59-6(CAS DataBase Reference)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H335-H319
- Precautionary statements
- 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36/37/38
- Safety Statements
- 37 · 37/39-26-36
- WGK Germany
- 3 · 3
- HS Code
- 29309099 · 29309099
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
H315 (100%): 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)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- hs_code
- 29309099
- risk_code
- 36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- safety_code
- 37/39-26-36
- Hazard statements
- H315-H335-H319
- Precautionary statements
- P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers15 total
南京世洲生物科技有限公司025-85560043 15850508050 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
Baoji Guokang Healthchem co.,ltd+8615604608665 15604608665 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海耐士化工科技有限公司400-188-0725 +86 21 34310725 13611771617
苏州亚科科技股份有限公司0512-87182055 13451648594 · [email protected]
苏州络森生物科技有限公司0512-87888687 13626191410 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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