| CAS Number | 1097629-78-1 |
| Catalog Number | AG01ACD7 |
| Chemical Name | tert-butyl N-(4-methylthiophen-3-yl)carbamate |
| IUPAC Name | tert-butyl N-(4-methylthiophen-3-yl)carbamate |
| InChI | InChI=1S/C10H15NO2S/c1-7-5-14-6-8(7)11-9(12)13-10(2,3)4/h5-6H,1-4H3,(H,11,12) |
| InChI Key | XUODWYMBCQAKLB-UHFFFAOYSA-N |
| MDL Number | MFCD24471163 |
| Molecular Formula | C10H15NO2S |
| Molecular Weight | 213.2966 |
| SMILES | CC1C(NC(OC(C)(C)C)=O)=CSC=1 |
| Synonyms | tert-butyl N-(4-methylthiophen-3-yl)carbamate,
1097629-78-1,
tert-butyl 4-methylthiophen-3-ylcarbamate,
SCHEMBL3039310,
XUODWYMBCQAKLB-UHFFFAOYSA-N,
ZINC95883407,
AKOS033560067,
NE41696,
DA-47891,
FT-0711638,
(4-methyl-thiophen-3-yl)-carbamic acid tert-butyl ester,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 213.082g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 213.295g/mol |
| Monoisotopic Mass | 213.082g/mol |
| Rotatable Bond Count | 3 |
| 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