| CAS Number | 304439-23-4 |
| Catalog Number | AG00304F(AGN-PC-0WAIEY) |
| Chemical Name | (3aS,6aR)-4-(5-Bromopentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one |
| IUPAC Name | (3aS,6aR)-4-(5-bromopentyl)-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazol-2-one |
| InChI | InChI=1S/C10H17BrN2OS/c11-5-3-1-2-4-8-9-7(6-15-8)12-10(14)13-9/h7-9H,1-6H2,(H2,12,13,14)/t7-,8?,9-/m0/s1 |
| InChI Key | UOEFYJDREUFJRJ-SMOXQLQSSA-N |
| MDL Number | MFCD28053493 |
| Molecular Formula | C10H17BrN2OS |
| Molecular Weight | 293.2238 |
| SMILES | [H][C@]12CS[C@@H](CCCCCBr)[C@@]1([H])NC(=O)N2 |
| Synonyms | 304439-23-4,
(3aS,6aR)-4-(5-Bromopentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one,
(3aS,4S,6aR)-4-(5-bromopentyl)tetrahydro-1H-thieno[3,4-d]imidazol-2(3H)-one,
MFCD28053493,
AKOS024464581,
AK159443,
AX8292758,
4CH-019969,
ACN-052337,
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| Complexity | 240 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 292.024g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 293.223g/mol |
| Monoisotopic Mass | 292.024g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 66.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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