| CAS Number | 1038555-08-6 |
| Catalog Number | AG01BAV7 |
| Chemical Name | tert-butyl N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]carbamate |
| IUPAC Name | tert-butyl N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]carbamate |
| InChI | InChI=1S/C12H19N3O2S/c1-12(2,3)17-11(16)14-7-4-5-8-9(6-7)18-10(13)15-8/h7H,4-6H2,1-3H3,(H2,13,15)(H,14,16)/t7-/m0/s1 |
| InChI Key | CBTULJANIYAMDM-ZETCQYMHSA-N |
| MDL Number | MFCD23162858 |
| Molecular Formula | C12H19N3O2S |
| Molecular Weight | 269.3632 |
| SMILES | CC(OC(N[C@@H]1CC2=C(N=C(S2)N)CC1)=O)(C)C |
| Synonyms | tert-butyl N-[(6S)-2-amino-4,5,6,7-tetrahydro-1,3-benzothiazol-6-yl]carbamate,
1038555-08-6,
SCHEMBL307244,
CBTULJANIYAMDM-ZETCQYMHSA-N,
ZINC95093281,
AJ-132375,
((S)-2-Amino-4,5,6,7-tetrahydro-benzothiazol-6-yl)-carbamic acid tert-butyl ester,
|
| Complexity | 319 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 269.12g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 18 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 269.363g/mol |
| Monoisotopic Mass | 269.12g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
Lot Number