| CAS Number | 1189561-30-5 |
| Catalog Number | AG01AA0H(AGN-PC-0WO47F) |
| Chemical Name | 4-[(Pyrrolidin-2-yl)carbonyl]thiomorpholine |
| IUPAC Name | pyrrolidin-2-yl(thiomorpholin-4-yl)methanone |
| InChI | InChI=1S/C9H16N2OS/c12-9(8-2-1-3-10-8)11-4-6-13-7-5-11/h8,10H,1-7H2 |
| InChI Key | ZIIAALYTCRMOJP-UHFFFAOYSA-N |
| MDL Number | MFCD11172256 |
| Molecular Formula | C9H16N2OS |
| Molecular Weight | 200.3011 |
| SMILES | O=C(N1CCSCC1)C1NCCC1 |
| Synonyms | 4-(pyrrolidine-2-carbonyl)thiomorpholine,
1189561-30-5,
4-[(pyrrolidin-2-yl)carbonyl]thiomorpholine,
AC1Q5FQJ,
AKOS009211869,
NE42156,
EN300-66710,
|
| Complexity | 192 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.098g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.3g/mol |
| Monoisotopic Mass | 200.098g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 57.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.3 |
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