| CAS Number | 90254-20-9 |
| Catalog Number | AG00IG1V(AGN-PC-0JEHS6) |
| Chemical Name | 4-(4-Bromophenyl)thiomorpholine |
| IUPAC Name | 4-(4-bromophenyl)thiomorpholine |
| InChI | InChI=1S/C10H12BrNS/c11-9-1-3-10(4-2-9)12-5-7-13-8-6-12/h1-4H,5-8H2 |
| InChI Key | SMSIAAFKDDBYSH-UHFFFAOYSA-N |
| MDL Number | MFCD18379053 |
| Molecular Formula | C10H12BrNS |
| Molecular Weight | 258.1780 |
| SMILES | Brc1ccc(cc1)N1CCSCC1 |
| Synonyms | 4-(4-Bromophenyl)thiomorpholine,
90254-20-9,
Thiomorpholine, 4-(4-bromophenyl)-,
SCHEMBL16611429,
CTK3I2861,
KS-00001BGI,
DTXSID80848240,
SMSIAAFKDDBYSH-UHFFFAOYSA-N,
MFCD18379053,
ZINC95915757,
FCH1367971,
TZ000638,
CS-0036258,
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| Complexity | 151 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.987g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 258.177g/mol |
| Monoisotopic Mass | 256.987g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 28.5A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number