2-[2-[2,3-dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl]-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-6-methoxy-3-methylbenzothiazolium (CAS 2321-65-5) — formula C35H36N4O6S3, molecular weight 704.9; category organic chemicals.
| CAS Number | 2321-65-5 |
|---|---|
| Molecular Formula | C35H36N4O6S3 |
| Molecular Weight | 704.9 |
| LogP | 7.1 |
| Category | Organic Chemicals |
2-[2-[2,3-dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl]-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-6-methoxy-3-methylbenzothiazolium is a carbon-based organic compound with CAS registry number 2321-65-5 and molecular formula C35H36N4O6S3 (molecular weight 704.9), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 2321-65-5
Its molecular formula C35H36N4O6S3 comprises 35 C, 36 H, 4 N, 6 O, 3 S atoms.
Also known as: 2-[2-[2,3-dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl]-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-6-methoxy-3-methylbenzothiazolium · 2-[2-[2,3-二氢-5-甲基-3-氧代-2-苯基-1-(4-磺基丁基)-1H-吡唑-4-基]-3-(6-甲氧基-3-甲基-3H-苯并噻唑-2-亚基)丙-1-烯基]-6-甲氧基-3-甲基苯并噻唑
Category: organic chemicals
The CAS registry number of 2-[2-[2,3-dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl]-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-6-methoxy-3-methylbenzothiazolium is 2321-65-5.
Molecular formula C35H36N4O6S3, molecular weight 704.9.
It is also registered under: 2-[2-[2,3-dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl]-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-6-methoxy-3-methylbenzothiazolium, 2-[2-[2,3-二氢-5-甲基-3-氧代-2-苯基-1-(4-磺基丁基)-1H-吡唑-4-基]-3-(6-甲氧基-3-甲基-3H-苯并噻唑-2-亚基)丙-1-烯基]-6-甲氧基-3-甲基苯并噻唑.
Category: Organic Chemicals.
Independent reference data for 2-[2-[2,3-dihydro-5-methyl-3-oxo-2-phenyl-1-(4-sulphonatobutyl)-1H-pyrazol-4-yl]-3-(6-methoxy-3-methyl-3H-benzothiazol-2-ylidene)prop-1-enyl]-6-methoxy-3-methylbenzothiazolium (CAS 2321-65-5), compiled from public chemistry databases.
| CAS 号 | 2321-65-5 |
|---|---|
| PubChem CID | 102240 |
| 分子式 | C35H36N4O6S3 |
| IUPAC 名称 | 4-[4-[1-(6-methoxy-3-methyl-1,3-benzothiazol-3-ium-2-yl)-3-(6-methoxy-3-methyl-1,3-benzothiazol-2-ylidene)prop-1-en-2-yl]-5-methyl-3-oxo-2-phenylpyrazol-1-yl]butane-1-sulfonate |
| UNII（FDA） | NS00048749 |
| Molecular Weight | 704.9 |
|---|---|
| XLogP3 | 7.1 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 10 |
| Exact Mass | 704.17969840 |
| Monoisotopic Mass | 704.17969840 |
| Topological Polar Surface Area | 168 |
| Heavy Atom Count | 48 |
2321-65-5; EINECS 219-032-3; DTXSID90177790; WVXXUIKUBNLFPA-UHFFFAOYSA-N; NS00048749
2-[2-[2,3-二氢-5-甲基-3-氧代-2-苯基-1-(4-磺基丁基)-1H-吡唑-4-基]-3-(6-甲氧基-3-甲基-3H-苯并噻唑-2-亚基)丙-1-烯基]-6-甲氧基-3-甲基苯并噻唑 · CAS 2321-65-5 · C35H36N4O6S3. UNII NS00048749.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.
中文页面: 2-[2-[2,3-二氢-5-甲基-3-氧代-2-苯基-1-(4-磺基丁基)-1H-吡唑-4-基]-3-(6-甲氧基-3-甲基-3H-苯并噻唑-2-亚基)丙-1-烯基]-6-甲氧基-3-甲基苯并噻唑