| CAS Number | 889451-78-9 |
| Catalog Number | AG019KHO |
| Chemical Name | tert-Butyl 3-thien-2-ylprop-2-ynylcarbamate |
| IUPAC Name | tert-butyl N-(3-thiophen-2-ylprop-2-ynyl)carbamate |
| InChI | InChI=1S/C12H15NO2S/c1-12(2,3)15-11(14)13-8-4-6-10-7-5-9-16-10/h5,7,9H,8H2,1-3H3,(H,13,14) |
| InChI Key | FOMUGWYNEQYPNH-UHFFFAOYSA-N |
| MDL Number | MFCD09040478 |
| Molecular Formula | C12H15NO2S |
| Molecular Weight | 237.3180 |
| SMILES | CC(OC(NCC#CC1SC=CC=1)=O)(C)C |
| Synonyms | tert-butyl N-[3-(thiophen-2-yl)prop-2-yn-1-yl]carbamate,
889451-78-9,
tert-butyl 3-thien-2-ylprop-2-ynylcarbamate,
AC1Q1NDC,
CTK7G9195,
ZINC8754378,
AKOS033871171,
MCULE-2154467144,
NE23040,
EN300-26972,
Z235342977,
CID11492408,
Tert-butyl N-(3-thiophen-2-ylprop-2-ynyl)carbamate,
|
| Complexity | 308 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 237.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 237.317g/mol |
| Monoisotopic Mass | 237.082g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 66.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number