Basic information
- CAS
65287-04-9- Standard SMILES
Cc1sc2ccc(Cl)cc2[n+]1CCCS(=O)(=O)[O-]- InChIKey
MMERGMYXQLSZMU-UHFFFAOYSA-N- Molecular formula
- C11H12ClNO3S2
- Average molar mass
- 305.8 g/mol
- Monoisotopic mass
- 304.9947133
Names & identifiers
- Preferred name
- 3-(5-Chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
- IUPAC
- 3-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate
- English name
- 5-Chloro-2-methyl-3-(3-sulfopropyl)benzothiazolium,inner salt
- Molecular weight
- 0
Names & synonyms
65287-04-93-(5-chloro-2-methyl-1,3-benzothiazol-3-ium-3-yl)propane-1-sulfonate3-(5-Chloro-2-methylbenzo[d]thiazol-3-ium-3-yl)propane-1-sulfonate5-CHLORO-2-METHYL-3-(3-SULFONATOPROPYL)-1,3-BENZOTHIAZOL-3-IUMstarbld0011311C11H12ClNO3S2SCHEMBL8517706DTXSID901369311BBL003869MFCD00186325STK396251AKOS000546815
Show more names
5-chloro-2-methyl-3-(3-sulfo-propyl)-benzothiazolium betaine5-Chloro-2-methyl-3-(3-sulfopropyl)benzothiazolium,inner salt5-Chloro-2-methyl-3-(3-sulfopropyl) benzothiazolium, inner salt
VS-01437ST50320667H666933-(5-chloro-2-methylbenzothiazol-3-yl)propanesulfonic acid
Database identifiers
- CAS
65287-04-9- PubChem CID
- 2189339
- DTXSID
DTXSID901369311- EC Number
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 97.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H315-H335
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
- TSCA
- TSCA listed
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
- tsca
- TSCA listed
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H315-H335
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazolium, 5-chloro-2-methyl-3-(3-sulfopropyl)-, inner salt: ACTIVE
Suppliers2 total
江苏艾康生物医药研发有限公司025-58851090 19370895928 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…