| CAS Number | 869472-68-4 |
| Catalog Number | AG019ONV |
| Chemical Name | 2-[5-(thiophen-3-yl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid |
| IUPAC Name | 2-(5-thiophen-3-yltetrazol-2-yl)acetic acid |
| InChI | InChI=1S/C7H6N4O2S/c12-6(13)3-11-9-7(8-10-11)5-1-2-14-4-5/h1-2,4H,3H2,(H,12,13) |
| InChI Key | JUJVXKVUYGSNLK-UHFFFAOYSA-N |
| MDL Number | MFCD07345668 |
| Molecular Formula | C7H6N4O2S |
| Molecular Weight | 210.2131 |
| SMILES | OC(CN1N=C(C2=CSC=C2)N=N1)=O |
| Synonyms | 2-[5-(thiophen-3-yl)-2H-1,2,3,4-tetrazol-2-yl]acetic acid,
(5-thien-3-yl-2H-tetrazol-2-yl)acetic acid,
869472-68-4,
AC1OFKD9,
2-(5-thiophen-3-yltetrazol-2-yl)acetic Acid,
AC1Q75WX,
CTK7J5165,
ZINC4218450,
AKOS008054259,
MCULE-8136469453,
NE44272,
EN300-14641,
Z104378232,
CID7130967,
|
| Complexity | 228 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.211g/mol |
| Monoisotopic Mass | 210.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 109A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number