| CAS Number | 141041-86-3 |
| Catalog Number | AG00A50R(AGN-PC-0PQ66G) |
| Chemical Name | tert-butyl N-[(1S)-1-carbamothioylethyl]carbamate |
| IUPAC Name | tert-butyl N-[(2S)-1-amino-1-sulfanylidenepropan-2-yl]carbamate |
| InChI | InChI=1S/C8H16N2O2S/c1-5(6(9)13)10-7(11)12-8(2,3)4/h5H,1-4H3,(H2,9,13)(H,10,11)/t5-/m0/s1 |
| InChI Key | WNBYIVHXPVFKHC-YFKPBYRVSA-N |
| MDL Number | MFCD09752920 |
| Molecular Formula | C8H16N2O2S |
| Molecular Weight | 204.2898 |
| SMILES | C[C@@H](C(N)=S)NC(OC(C)(C)C)=O |
| Synonyms | 141041-86-3,
BOC-alanine-thioamide,
(S)-tert-Butyl (1-amino-1-thioxopropan-2-yl)carbamate,
(S)-2-(tert-Butoxycarbonylamino)propanethioamide,
SCHEMBL2411603,
WNBYIVHXPVFKHC-YFKPBYRVSA-N,
ZINC33841044,
tert-butyl N-[(1S)-1-carbamothioylethyl]carbamate,
(S)-tert-butyl 1-amino-1-thioxopropan-2-ylcarbamate,
t-Butoxycarbonyl-alaninethioamide,
CID10932591,
Carbamicacid,[ -2-amino-1-methyl-2-thioxoethyl]-,1,1-dimethylethylester,
Carbamic acid, [(1S)-2-amino-1-methyl-2-thioxoethyl]-, 1,1-dimethylethyl ester,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.093249g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.29g/mol |
| Monoisotopic Mass | 204.093249g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.4Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number