| CAS Number | 569348-09-0 |
| Catalog Number | AG00F9ST(AGN-PC-0SMNC2) |
| Chemical Name | Tert-butyl 2-carbamothioylpiperidine-1-carboxylate |
| IUPAC Name | tert-butyl 2-carbamothioylpiperidine-1-carboxylate |
| InChI | InChI=1S/C11H20N2O2S/c1-11(2,3)15-10(14)13-7-5-4-6-8(13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16) |
| InChI Key | OLZRMIGDZLTJLM-UHFFFAOYSA-N |
| MDL Number | MFCD11976491 |
| Molecular Formula | C11H20N2O2S |
| Molecular Weight | 244.3537 |
| SMILES | CC(OC(N1C(C(N)=S)CCCC1)=O)(C)C |
| Synonyms | Tert-butyl 2-carbamothioylpiperidine-1-carboxylate,
569348-09-0,
SCHEMBL2308822,
DTXSID10464437,
OLZRMIGDZLTJLM-UHFFFAOYSA-N,
8335AB,
AKOS011831550,
MB11432,
SC-31344,
A1-00901,
(+/-)-tert-butyl 2-carbamothioylpiperidine-1-carboxylate,
C11H20N2O2S,
CID11390900,
tert-Butyl2-carbamothioylpiperidine-1-carboxylate,
(R)-TERT-BUTYL 2-CARBAMOTHIOYLPIPERIDINE-1-CARBOXYLATE,
1089729-72-5,
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| Complexity | 286 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.125g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.353g/mol |
| Monoisotopic Mass | 244.125g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 87.6A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number