2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile (CAS 6246-40-8) — formula C16H15BrFN3O2S, molecular weight 412.3; category organic chemicals.
| CAS Number | 6246-40-8 |
|---|---|
| Molecular Formula | C16H15BrFN3O2S |
| Molecular Weight | 412.3 |
| LogP | 3.4 |
| Category | Organic Chemicals |
2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile is a carbon-based organic compound with CAS registry number 6246-40-8 and molecular formula C16H15BrFN3O2S (molecular weight 412.3), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 6246-40-8
Its molecular formula C16H15BrFN3O2S comprises 16 C, 15 H, 1 Br, 1 F, 3 N, 2 O, 1 S atoms.
Also known as: 2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile · 2-羟基-1,7,7-三甲基双环[2.2.1]庚烷-2-甲腈
Category: organic chemicals
The CAS registry number of 2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile is 6246-40-8.
Molecular formula C16H15BrFN3O2S, molecular weight 412.3.
It is also registered under: 2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile, 2-羟基-1,7,7-三甲基双环[2.2.1]庚烷-2-甲腈.
Category: Organic Chemicals.
Independent reference data for 2-Hydroxy-1,7,7-trimethylbicyclo[2.2.1]heptane-2-carbonitrile (CAS 6246-40-8), compiled from public chemistry databases.
| CAS 号 | 6246-40-8 |
|---|---|
| PubChem CID | 5349697 |
| 分子式 | C16H15BrFN3O2S |
| IUPAC 名称 | [(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]thiourea |
| Molecular Weight | 412.3 |
|---|---|
| XLogP3 | 3.4 |
| Hydrogen Bond Donor Count | 2 |
| Hydrogen Bond Acceptor Count | 5 |
| Rotatable Bond Count | 6 |
| Exact Mass | 411.00524 |
| Monoisotopic Mass | 411.00524 |
| Topological Polar Surface Area | 101 |
| Heavy Atom Count | 24 |
[(E)-[3-bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]thiourea; 6246-40-8; MLS000680519; (2E)-2-{3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxybenzylidene}hydrazinecarbothioamide; SCHEMBL1218657; CHEMBL1972996; DTXSID90417608; CHEBI:120044; STK098465; AKOS000325232; SMR000268696; AB00104773-01; 3-bromo-4-[(2-fluorobenzyl)oxy]-5-methoxybenzaldehyde thiosemicarbazone; (E)-2-(3-bromo-4-((2-fluorobenzyl)oxy)-5-methoxybenzylidene)hydrazinecarbothioamide; (2E)-2-({3-Bromo-4-[(2-fluorophenyl)methoxy]-5-methoxyphenyl}methylidene)hydrazine-1-carbothioamide; 303782-53-8
2-羟基-1,7,7-三甲基双环[2.2.1]庚烷-2-甲腈 · CAS 6246-40-8 · C16H15BrFN3O2S.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd.