| CAS Number | 127103-83-7 |
| Catalog Number | AG000WP2(AGN-PC-0045BG) |
| Chemical Name | 3,3-Dimethylpyrrolidine-2-thione |
| IUPAC Name | 3,3-dimethylpyrrolidine-2-thione |
| InChI | InChI=1S/C6H11NS/c1-6(2)3-4-7-5(6)8/h3-4H2,1-2H3,(H,7,8) |
| InChI Key | QWAVPKNPPQGTHT-UHFFFAOYSA-N |
| MDL Number | MFCD19217080 |
| Molecular Formula | C6H11NS |
| Molecular Weight | 129.2232 |
| SMILES | S=C1NCCC1(C)C |
| Synonyms | 3,3-Dimethylpyrrolidine-2-thione,
127103-83-7,
2-Pyrrolidinethione, 3,3-dimethyl-,
ACMC-20msbs,
SCHEMBL20185716,
CTK0C1984,
DTXSID70569917,
FCH951247,
MFCD19217080,
AKOS006349332,
ZINC104589025,
TZ001152,
CS-0035637,
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| Complexity | 118 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 129.061g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 129.221g/mol |
| Monoisotopic Mass | 129.061g/mol |
| Rotatable Bond Count | 0 |
| Topological Polar Surface Area | 44.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.1 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number