| CAS Number | 1233143-48-0 |
| Catalog Number | AG000KB7(AGN-PC-0WA74R) |
| Chemical Name | 2-Thia-6-azaspiro[3.3]heptane oxalate(2:1) |
| IUPAC Name | oxalic acid;2-thia-6-azaspiro[3.3]heptane |
| InChI | InChI=1S/2C5H9NS.C2H2O4/c2*1-5(2-6-1)3-7-4-5;3-1(4)2(5)6/h2*6H,1-4H2;(H,3,4)(H,5,6) |
| InChI Key | IUOHIXFWUIKFFT-UHFFFAOYSA-N |
| MDL Number | MFCD25970443 |
| Molecular Formula | C12H20N2O4S2 |
| Molecular Weight | 320.4282 |
| SMILES | O=C(O)C(O)=O.C1SCC12CNC2.C3SCC34CNC4 |
| Synonyms | 1233143-48-0,
2-thia-6-azaspiro[3.3]heptane hemioxalate,
2-Thia-6-azaspiro[3.3]heptane oxalate(2:1),
bis(2-thia-6-azaspiro[3.3]heptane); oxalic acid,
2-Thia-6-azaspiro[3.3]heptane oxalate (2:1),
MFCD25970443,
AKOS025291147,
NE53029,
KS-000006J0,
AS-34269,
CS-0051789,
bis(2-thia-6-azaspiro[3.3]heptane) oxalate,
2-Thia-6-azaspiro[3.3]heptane oxalic acid salt (2:1),
Z2143572652,
2-THIA-6-AZASPIRO[3.3]HEPTANE, ETHANEDIOATE (2:1),
920491-09-4,
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| Complexity | 154 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 3 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 320.086g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 320.422g/mol |
| Monoisotopic Mass | 320.086g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 149A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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