Basic information
- CAS
180729-93-5- Standard SMILES
CCCCCCc1nc(-c2nc(CCCCCC)c(Br)s2)sc1Br- InChIKey
CUEAYYKPBOHFDR-UHFFFAOYSA-N- Molecular formula
- C18H26Br2N2S2
- Average molar mass
- 494.4 g/mol
- Monoisotopic mass
- 491.99042
Names & identifiers
- Preferred name
- 5,5'-Dibromo-4,4'-dihexyl-2,2'-bithiazole
- IUPAC
- 5-bromo-2-(5-bromo-4-hexyl-1,3-thiazol-2-yl)-4-hexyl-1,3-thiazole
- English name
- 5,5'-Dibromo-4,4'-dihexyl-2,2'-bithiazole
- Molecular formula
- C18H26Br2N2S2
- Molecular weight
- 494.35
Names & synonyms
5,5'-DIBROMO-4,4'-DIHEXYL-2,2'-BITHIAZOLE180729-93-55-BROMO-2-(5-BROMO-4-HEXYL-1,3-THIAZOL-2-YL)-4-HEXYL-1,3-THIAZOLE5,5/'-Dibromo-4,4/'-dihexyl-2,2/'-bithiazoleC18H26Br2N2S2SCHEMBL8937096DTXSID105988275-bromo-2-(5-bromo-4-hexyl-thiazol-2-yl)-4-hexyl-thiazoleCS-04338145,5'-Dibromo-4,4'-dihexyl-2,2'-bi-1,3-thiazoleM81432,2'-Bithiazole, 5,5'-dibromo-4,4'-dihexyl-
Database identifiers
- CAS
180729-93-5- PubChem CID
- 19437293
- DTXSID
DTXSID10598827- Nikkaji
- J668.820I
Properties
Computed structural properties
- XLogP
- 9.4
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- Boiling point
- 538.1 · 538.1±60.0 °C(Predicted)
- Density
- 1.411 · 1.411
- pka
- -0.23 · -0.23±0.10(Predicted)
Chemistry & industry
Suppliers9 total
Aladdin Scientific[email protected]
郑州汇聚化工有限公司0371-55900031 18137872243 · [email protected]
江苏艾康生物医药研发有限公司025-58851090 13913916777 · [email protected]
厦门盈融达化工有限公司+86-0592-6210733 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
郑州艾克姆化工有限公司13303867194 · [email protected]
Alchem Pharmtech,Inc.8485655694 · [email protected]
重庆卡兰医药有限公司[email protected]
北京奥格泰克科技有限公司010-89719903 18511074324;18511074324 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…