| CAS Number | 953895-49-3 |
| Catalog Number | AG019WIS(AGN-PC-0WO68N) |
| Chemical Name | 2-[(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid |
| IUPAC Name | 2-(1-cyclopropyltetrazol-5-yl)sulfanylpropanoic acid |
| InChI | InChI=1S/C7H10N4O2S/c1-4(6(12)13)14-7-8-9-10-11(7)5-2-3-5/h4-5H,2-3H2,1H3,(H,12,13) |
| InChI Key | SCVXJJPMAKQBAY-UHFFFAOYSA-N |
| MDL Number | MFCD09735931 |
| Molecular Formula | C7H10N4O2S |
| Molecular Weight | 214.2449 |
| SMILES | CC(C(O)=O)SC1N(C2CC2)N=NN=1 |
| Synonyms | 2-[(1-cyclopropyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoic acid,
953895-49-3,
AC1Q2C54,
CTK7I5220,
AKOS000144423,
AKOS017283465,
MCULE-5908602420,
NE34419,
EN300-52121,
Z149392722,
|
| Complexity | 236 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 214.052g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 214.243g/mol |
| Monoisotopic Mass | 214.052g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number