Basic information
- CAS
55775-26-3- Standard SMILES
Cc1sc2ccccc2[n+]1CCC(=O)O.[Br-]- InChIKey
CVSMVTYNERUSSW-UHFFFAOYSA-N- Molecular formula
- C11H12BrNO2S
- Average molar mass
- 302.19 g/mol
- Monoisotopic mass
- 300.97721172
Names & identifiers
- Preferred name
- Benzothiazolium, 3-(2-carboxyethyl)-2-methyl-, bromide (1:1)
- IUPAC
- 3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid bromide
- English name
- 3-(2-carboxyethyl)-2-methylbenzothiazolium bromide
- Molecular formula
- C11H12BrNO2S
- Molecular weight
- 302.18748
Names & synonyms
55775-26-3Benzothiazolium, 3-(2-carboxyethyl)-2-methyl-, bromideEINECS 259-813-6Benzothiazolium, 3-(2-carboxyethyl)-2-methyl-, bromide (1:1)3-(2-Carboxyethyl)-2-methylbenzothiozolium bromideDTXSID00886149RefChem:118616DTXCID8010254913-(2-carboxyethyl)-2-methylbenzo[d]thiazol-3-ium bromide3-(2-Carboxyethyl)-2-methylbenzothiazolium bromide3-(2-carboxyethyl)-2-methyl-1,3-benzothiazol-3-ium bromide3-(2-methyl-1,3-benzothiazol-3-ium-3-yl)propanoic acid;bromide
Show more names
SCHEMBL10776612SCHEMBL10776615NS000559022-methyl-3-carboxyethyl benzothiazolium bromideG671563-(2-carboxyethyl)-2-methylbenzothiazol-3-ium bromide
Database identifiers
- CAS
55775-26-3- PubChem CID
- 108766
- DTXSID
Properties
Computed structural properties
- Topological polar surface area
- 69.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 247
Physicochemical properties
- EPA Substance Registry System
- 3 · Benzothiazolium, 3-(2-carboxyethyl)-2-methyl-, bromide (55775-26-3)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- TSCA
- TSCA listed
Safety & regulation
Safety data
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazolium, 3-(2-carboxyethyl)-2-methyl-, bromide (1:1): ACTIVE
Suppliers7 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
安阳鸿蒙新材料有限公司19588588067 · [email protected]
Jilin Chinese Academy of Sciences-yanshen Technology18143011203 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
吉林中科研伸科技有限公司043180534350 19917294565 · [email protected]
Related reactions
1 records
Compound notes
Loading…