| CAS Number | 1171237-79-8 |
| Catalog Number | AG00HDT6(AGN-PC-0WBKSI) |
| Chemical Name | 2-(4-Methoxyphenyl)thiomorpholine, HCl |
| IUPAC Name | 2-(4-methoxyphenyl)thiomorpholine;hydrochloride |
| InChI | InChI=1S/C11H15NOS.ClH/c1-13-10-4-2-9(3-5-10)11-8-12-6-7-14-11;/h2-5,11-12H,6-8H2,1H3;1H |
| InChI Key | YUQRBYYFAVZPAO-UHFFFAOYSA-N |
| MDL Number | MFCD03840038 |
| Molecular Formula | C11H16ClNOS |
| Molecular Weight | 245.7688 |
| SMILES | Cl.COC1=CC=C(C=C1)C1CNCCS1 |
| Synonyms | 2-(4-Methoxyphenyl)thiomorpholine hydrochloride,
1171237-79-8,
2-(4-METHOXYPHENYL)THIOMORPHOLINE HCL,
C11H15NOS.HCl,
CTK7A3474,
DTXSID50590002,
2TMA-Q01-1,
ZX-AT029441,
4832AH,
AR1256,
MFCD03840038,
AKOS015947692,
MCULE-9335064919,
2-(4-Methoxyphenyl)thiomorpholine, HCl,
NS-03547,
X-2129,
2-(4-methoxyphenyl)thiomorpholine hydrochloride, AldrichCPR,
2-(4-Methoxyphenyl)thiomorpholine--hydrogen chloride (1/1),
|
| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.064g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.765g/mol |
| Monoisotopic Mass | 245.064g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 46.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number