5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL (CAS 63698-52-2) — formula C9H6N2O3S, molecular weight 222.22; category organic chemicals.
| CAS Number | 63698-52-2 |
|---|---|
| Molecular Formula | C9H6N2O3S |
| Molecular Weight | 222.22 |
| LogP | 1.8 |
| Category | Organic Chemicals |
5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL is a carbon-based organic compound with CAS registry number 63698-52-2 and molecular formula C9H6N2O3S (molecular weight 222.22), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 63698-52-2
Its molecular formula C9H6N2O3S comprises 9 C, 6 H, 2 N, 3 O, 1 S atoms.
Also known as: 5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL · 5-苯并[1,3]二氧代-5-基-[1,3,4]噁二唑-2-硫醇
Category: organic chemicals
The CAS registry number of 5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL is 63698-52-2.
Molecular formula C9H6N2O3S, molecular weight 222.22.
It is also registered under: 5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL, 5-苯并[1,3]二氧代-5-基-[1,3,4]噁二唑-2-硫醇.
Category: Organic Chemicals.
Independent reference data for 5-BENZO[1,3]DIOXOL-5-YL-[1,3,4]OXADIAZOLE-2-THIOL (CAS 63698-52-2), compiled from public chemistry databases.
| CAS 号 | 63698-52-2 |
|---|---|
| PubChem CID | 2434780 |
| 分子式 | C9H6N2O3S |
| IUPAC 名称 | 5-(1,3-benzodioxol-5-yl)-3H-1,3,4-oxadiazole-2-thione |
| UNII（FDA） | HMS1789N15 |
| Molecular Weight | 222.22 |
|---|---|
| XLogP3 | 1.8 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 1 |
| Exact Mass | 222.00991323 |
| Monoisotopic Mass | 222.00991323 |
| Topological Polar Surface Area | 84.2 |
| Heavy Atom Count | 15 |
63698-52-2; 5-Benzo[1,3]dioxol-5-yl-[1,3,4]oxadiazole-2-thiol; 5-(1,3-benzodioxol-5-yl)-3H-1,3,4-oxadiazole-2-thione; 5-(1,3-dioxaindan-5-yl)-1,3,4-oxadiazole-2-thiol; 5-Benzo[1,3]dioxol-5-yl-[1,3,4]oxadiazol-2-thiol; 5-(Benzo[d][1,3]dioxol-5-yl)-1,3,4-oxadiazole-2-thiol; 5-(2H-1,3-benzodioxol-5-yl)-1,3,4-oxadiazole-2-thiol; SCHEMBL391671; SCHEMBL16137339; SCHEMBL31040512; DTXSID40368651; JPZJNDJPRJSGGH-UHFFFAOYSA-N; HMS1789N15; NCA69852; AKOS000116357; AKOS008029670
5-苯并[1,3]二氧代-5-基-[1,3,4]噁二唑-2-硫醇 · CAS 63698-52-2 · C9H6N2O3S. UNII HMS1789N15.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.