| CAS Number | 96929-01-0 |
| Catalog Number | AG019X2L(AGN-PC-0W6LHI) |
| Chemical Name | tert-Butyl N-(1-carbamothioylethyl)carbamate |
| IUPAC Name | tert-butyl N-(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) |
| InChI Key | WNBYIVHXPVFKHC-UHFFFAOYSA-N |
| MDL Number | MFCD09752920 |
| Molecular Formula | C8H16N2O2S |
| Molecular Weight | 204.2898 |
| SMILES | C(N)(=S)C(C)NC(OC(C)(C)C)=O |
| Synonyms | tert-butyl N-(1-carbamothioylethyl)carbamate,
WNBYIVHXPVFKHC-UHFFFAOYSA-N,
96929-01-0,
(S)-tert-Butyl (1-amino-1-thioxopropan-2-yl)carbamate,
141041-86-3,
t-Butoxycarbonyl-alaninethioamide,
AC1NSKSQ,
SCHEMBL2171444,
CTK8G9271,
AKOS010592381,
NE30794,
N-(1-Thiocarbamoylethyl)carbamic acid tert-butyl ester,
tert-Butyl 2-amino-1-methyl-2-thioxoethylcarbamate #,
(1-Thiocarbamoyl-ethyl)-carbamic acid tert-butyl ester,
tert-butyl N-(1-amino-1-sulfanylidenepropan-2-yl)carbamate,
CID5365025,
tert-butyl (1-amino-1-thioxopropan-2-yl)carbamate,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 204.093g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 204.288g/mol |
| Monoisotopic Mass | 204.093g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 96.4A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number