| CAS Number | 719277-30-2 |
| Catalog Number | AG00FHTX(AGN-PC-0WP0VW) |
| Chemical Name | ProINDY |
| IUPAC Name | [(2Z)-3-ethyl-2-(2-oxopropylidene)-1,3-benzothiazol-5-yl] acetate |
| InChI | InChI=1S/C14H15NO3S/c1-4-15-12-8-11(18-10(3)17)5-6-13(12)19-14(15)7-9(2)16/h5-8H,4H2,1-3H3/b14-7- |
| InChI Key | RLEOCVDWLAYGRX-AUWJEWJLSA-N |
| MDL Number | MFCD27937773 |
| Molecular Formula | C14H15NO3S |
| Molecular Weight | 277.3388 |
| SMILES | C(C)N1C=2C(S/C1=CC(C)=O)=CC=C(OC(C)=O)C2 |
| Synonyms | ProINDY,
tg007,
719277-30-2,
C14H14NO3S,
SCHEMBL4018920,
AOB1264,
SYN5235,
ZINC68249423,
AKOS032949710,
AS-16590,
(1Z)-1-(5-Acetyloxy3-ethyl-2(3H)-benzothiazolylidene)-2-propanone,
|
| Complexity | 408 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 1 |
| Exact Mass | 277.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 19 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 277.338g/mol |
| Monoisotopic Mass | 277.077g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 71.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number