4-[(1-phenyl-1H-tetrazol-5-yl)thio]pyrocatechol (CAS 42580-28-9) — formula C13H10N4O2S, molecular weight 286.31; category organic chemicals.
| CAS Number | 42580-28-9 |
|---|---|
| Molecular Formula | C13H10N4O2S |
| Molecular Weight | 286.31 |
| LogP | 2.9 |
| Category | Organic Chemicals |
4-[(1-phenyl-1H-tetrazol-5-yl)thio]pyrocatechol is a carbon-based organic compound with CAS registry number 42580-28-9 and molecular formula C13H10N4O2S (molecular weight 286.31), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 42580-28-9
Its molecular formula C13H10N4O2S comprises 13 C, 10 H, 4 N, 2 O, 1 S atoms.
Also known as: 4-[(1-phenyl-1H-tetrazol-5-yl)thio]pyrocatechol · 4-[(1-苯基-1H-四唑-5-基)硫基]邻苯二酚
Category: organic chemicals
The CAS registry number of 4-[(1-phenyl-1H-tetrazol-5-yl)thio]pyrocatechol is 42580-28-9.
Molecular formula C13H10N4O2S, molecular weight 286.31.
It is also registered under: 4-[(1-phenyl-1H-tetrazol-5-yl)thio]pyrocatechol, 4-[(1-苯基-1H-四唑-5-基)硫基]邻苯二酚.
Category: Organic Chemicals.
Independent reference data for 4-[(1-phenyl-1H-tetrazol-5-yl)thio]pyrocatechol (CAS 42580-28-9), compiled from public chemistry databases.
| CAS 号 | 42580-28-9 |
|---|---|
| PubChem CID | 3016374 |
| 分子式 | C13H10N4O2S |
| IUPAC 名称 | 4-(1-phenyltetrazol-5-yl)sulfanylbenzene-1,2-diol |
| UNII（FDA） | NS00059558 |
| Molecular Weight | 286.31 |
|---|---|
| XLogP3 | 2.9 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 6 |
| Rotatable Bond Count | 3 |
| Exact Mass | 286.05244675 |
| Monoisotopic Mass | 286.05244675 |
| Topological Polar Surface Area | 109 |
| Heavy Atom Count | 20 |
EINECS 255-897-3; 42580-28-9; 4-((1-Phenyl-1H-tetrazol-5-yl)thio)pyrocatechol; DTXSID60962579; PJZVGBUGVGILFO-UHFFFAOYSA-N; NS00059558; 4-[(1-Phenyl-2,3-dihydro-1H-tetrazol-5-yl)sulfanyl]cyclohexa-3,5-diene-1,2-dione
4-[(1-苯基-1H-四唑-5-基)硫基]邻苯二酚 · CAS 42580-28-9 · C13H10N4O2S. UNII NS00059558.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.