Basic information
- CAS
14637-08-2- Standard SMILES
CCC(=Cc1sc2ccc(OC)cc2[n+]1CCCS(=O)(=O)[O-])C=C1Sc2ccc(OC)cc2N1CC- InChIKey
BPVXRCNZOAFWOB-UHFFFAOYSA-N- Molecular formula
- C26H30N2O5S3
- Average molar mass
- 546.7 g/mol
- Monoisotopic mass
- 546.13168558
Names & identifiers
- Preferred name
- benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3h)-benzothiazolylidene)methyl)-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner salt
- IUPAC
- 3-[2-[2-[(3-ethyl-5-methoxy-1,3-benzothiazol-2-ylidene)methyl]but-1-enyl]-5-methoxy-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
- English name
- 2-[2-[(3-ethyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl]but-1-enyl]-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium
- Molecular formula
- C26H30N2O5S3
- Molecular weight
- 546.72
Names & synonyms
14637-08-2EINECS 238-681-3Benzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, inner saltAnhydro-2-(3-(3-ethyl-5-methoxy-2-benzothiazolinylidene)-2-ethylpropenyl)-3-(3-sulfopropyl)-5-methoxybenzothiazolium hydroxideBenzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-buten-1-yl)-5-methoxy-3-(3-sulfopropyl)-, inner saltBenzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5-methoxy-3-(3-sulfopropyl)-, inner saltBenzothiazolium, 2-(2-((3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl)-1-butenyl)-5-methoxy-3-(3-sulfopropyl)-, hydroxide, inner saltBenzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5-methoxy-3-(3-sulfopropyl)-, inner saltDTXSID0065800RefChem:118577DTXCID60347662-(2-((3-Ethyl-5-methoxybenzothiazol-2(3H)-ylidene)methyl)but-1-enyl)-5-methoxy-3-(3-sulphonatopropyl)benzothiazolium
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 145 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 892
Physicochemical properties
- EPA Substance Registry System
- 2 · Benzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-butenyl]-5-methoxy-3-(3-sulfopropyl)-, inner salt (14637-08-2)
- 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.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazolium, 2-[2-[(3-ethyl-5-methoxy-2(3H)-benzothiazolylidene)methyl]-1-buten-1-yl]-5-methoxy-3-(3-sulfopropyl)-, inner salt: INACTIVE
Suppliers2 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…