| CAS Number | 923256-68-2 |
| Catalog Number | AG019K6J |
| Chemical Name | 2-[(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetic acid |
| IUPAC Name | 2-(1-cyclopropyltetrazol-5-yl)sulfanylacetic acid |
| InChI | InChI=1S/C6H8N4O2S/c11-5(12)3-13-6-7-8-9-10(6)4-1-2-4/h4H,1-3H2,(H,11,12) |
| InChI Key | SDDBMYOSAUJBLI-UHFFFAOYSA-N |
| MDL Number | MFCD08444482 |
| Molecular Formula | C6H8N4O2S |
| Molecular Weight | 200.2183 |
| SMILES | OC(CSC1N(C2CC2)N=NN=1)=O |
| Synonyms | [(1-cyclopropyl-1H-tetrazol-5-yl)thio]acetic acid,
2-[(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetic acid,
923256-68-2,
AC1Q76DN,
CTK8F2207,
ZINC9596239,
AKOS000264542,
MCULE-8965259927,
NE23672,
EN300-25713,
2-(1-cyclopropyl-1H-tetrazol-5-ylthio)acetic acid,
|
| Complexity | 211 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 200.037g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 200.216g/mol |
| Monoisotopic Mass | 200.037g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.5 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number