| CAS Number | 1258884-22-8 |
| Catalog Number | AG00A1IB |
| Chemical Name | (S)-1-(2,3-bis(benzyloxy)propyl)cyclopropane-1-sulfonyl chloride |
| IUPAC Name | 1-[(2S)-2,3-bis(phenylmethoxy)propyl]cyclopropane-1-sulfonyl chloride |
| InChI | InChI=1S/C20H23ClO4S/c21-26(22,23)20(11-12-20)13-19(25-15-18-9-5-2-6-10-18)16-24-14-17-7-3-1-4-8-17/h1-10,19H,11-16H2/t19-/m0/s1 |
| InChI Key | PUGMBFMJKQVCGB-IBGZPJMESA-N |
| MDL Number | MFCD30490711 |
| Molecular Formula | C20H23ClO4S |
| Molecular Weight | 394.9122 |
| SMILES | ClS(=O)(=O)C1(C[C@@H](COCC2=CC=CC=C2)OCC2=CC=CC=C2)CC1 |
| Synonyms | 1258884-22-8,
(S)-1-(2,3-bis(benzyloxy)propyl)cyclopropane-1-sulfonyl chloride,
SCHEMBL14226938,
ZINC149350684,
CS-W018394,
AS-48628,
|
| Complexity | 514 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 394.100558g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 26 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 394.9g/mol |
| Monoisotopic Mass | 394.100558g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 61Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.9 |
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