| CAS Number | 380431-21-0 |
| Catalog Number | AG019GPF |
| Chemical Name | 5-(Benzo[d]thiazol-2-yl)thiophene-2-carboxylic acid |
| IUPAC Name | 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid |
| InChI | InChI=1S/C12H7NO2S2/c14-12(15)10-6-5-9(16-10)11-13-7-3-1-2-4-8(7)17-11/h1-6H,(H,14,15) |
| InChI Key | GKBJZPGWTJQYCN-UHFFFAOYSA-N |
| MDL Number | MFCD02944091 |
| Molecular Formula | C12H7NO2S2 |
| Molecular Weight | 261.3195 |
| SMILES | OC(C1SC(C2SC3=C(C=CC=C3)N=2)=CC=1)=O |
| Synonyms | 5-(1,3-benzothiazol-2-yl)thiophene-2-carboxylic acid,
5-Benzothiazol-2-yl-thiophene-2-carboxylic acid,
380431-21-0,
5-(Benzo[d]thiazol-2-yl)thiophene-2-carboxylic acid,
AC1LGYX8,
AF-399/25041001,
AC1Q73H2,
CTK7I8348,
ZINC351255,
SBB102442,
AKOS000114862,
MCULE-1512224698,
NE38311,
EN300-00707,
5-benzothiazol-2-ylthiophene-2-carboxylic acid,
AB00711877-01,
SR-01000032089,
SR-01000032089-1,
Z56824375,
CID829353,
|
| Complexity | 313 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 260.992g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 261.313g/mol |
| Monoisotopic Mass | 260.992g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 107A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number