Basic information
- CAS
63148-97-0- Standard SMILES
CCN(CC)CC.COc1ccc2c(c1)N(CCCS(=O)(=O)O)C(=Cc1sc3ccc(OC)cc3[n+]1CCCS(=O)(=O)[O-])S2- InChIKey
XGDLAZBMOHDWKV-UHFFFAOYSA-N- Molecular formula
- C23H26N2O8S4.C6H15N
- Average molar mass
- 687.9 g/mol
- Monoisotopic mass
- 687.17764997
Names & identifiers
- Preferred name
- Benzothiazolium, 5-methoxy-2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1)
- IUPAC
- N,N-diethylethanamine;3-[5-methoxy-2-[[5-methoxy-3-(3-sulfopropyl)-1,3-benzothiazol-2-ylidene]methyl]-1,3-benzothiazol-3-ium-3-yl]propane-1-sulfonate
- English name
- hydrogen 5-methoxy-2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]-3-(3-sulphonatopropyl)benzothiazolium, compound with triethylamine (1:1)
- Molecular formula
- C23H26N2O8S4.C6H15N
- Molecular weight
- 687.92
Names & synonyms
63148-97-0EINECS 263-946-5DTXSID8069725RefChem:118676DTXCID6043707SCHEMBL29960572Hydrogen 5-methoxy-2-((5-methoxy-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene)methyl)-3-(3-sulphonatopropyl)benzothiazolium, compound with triethylamine (1:1)DMOTY TEA5,5'-DIMETHOXY-3,3'-BIS(3-SULFOPROPYL)THIACYANINE OH, TRIETHYLAMMONIUM SALT5,5'-DIMETHOXY-3,3'-BIS(3-SULFOPROPYL)THIACYANINE OH, TRIETHYLAMMONIUM SALTTriethylammonium 3-(5-methoxy-2-((5-methoxy-3-(3-sulfonatopropyl)benzo[d]thiazol-2(3H)-ylidene)methyhydrogen5-methoxy-2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]-3-(3-sulphonatopropyl)benzothiazolium,compoundwithtriethylamine(1:1)
Show more names
hydrogen 5-methoxy-2-[[5-methoxy-3-(3-sulphonatopropyl)-3H-benzothiazol-2-ylidene]methyl]-3-(3-sulphonatopropyl)benzothiazolium, compound with triethylamine (1:1)Benzothiazolium, 5-methoxy-2-[[5-methoxy-3- (3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl ]-3-(3-sulfopropyl)-, hydroxide, inner salt, compd. with N,N-diethylethanamine (1:1)
Properties
Computed structural properties
- Topological polar surface area
- 211 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 13
- Heavy atoms
- 44
- Formal charge
- 0
- Complexity
- 1,030
Physicochemical properties
- storage temp.
- -20 °C · -20°C
- form
- powder
- InChIKey
- XGDLAZBMOHDWKV-UHFFFAOYSA-N
- SMILES
- COC1=CC=C2C(N(C(S2)=CC3=[N+](CCCS(=O)([O-])=O)C(C=C(OC)C=C4)=C4S3)CCCS(=O)([O-])=O)=C1.CCN(CC)CC
- EPA Substance Registry System
- 5 · Benzothiazolium, 5-methoxy-2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1) (63148-97-0)
- UNSPSC Code
- 12352101 · 12352101
- NACRES
- 22 · NA.22
- WGK Germany
- 3 · WGK 3
- TSCA
- TSCA listed
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationChemical: Benzothiazolium, 5-methoxy-2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-3-(3-sulfopropyl)-, hydroxide, inner salt, compound with N,N-diethylethanamine (1:1)
Other Safety InformationEvaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia
Safety data
- wgk
- WGK 3
- tsca
- TSCA listed
- Storage Class
- 11 - Combustible Solids
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationBenzothiazolium, 5-methoxy-2-[[5-methoxy-3-(3-sulfopropyl)-2(3H)-benzothiazolylidene]methyl]-3-(3-sulfopropyl)-, inner salt, compd. with N,N-diethylethanamine (1:1): INACTIVE
Applications
UsesDMOTY TEA is a thiacyanine-based fluorescent autophagy probe that localizes to lysosomes of live cells via selective binding to G-quadruplexes. DMOTY TEA will be a valuable tool for probing autophagy mechanisms and drug discovery research centering on protein degradation.
Suppliers7 total
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
上海仲因实业有限公司2537653158 16621191650 · [email protected]
梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
ORGANICA+49 3494636389 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
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Compound notes
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