| CAS Number | 531536-55-7 |
| Catalog Number | AG019K6H |
| Chemical Name | 2-[(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetic acid |
| IUPAC Name | 2-(1-cyclopentyltetrazol-5-yl)sulfanylacetic acid |
| InChI | InChI=1S/C8H12N4O2S/c13-7(14)5-15-8-9-10-11-12(8)6-3-1-2-4-6/h6H,1-5H2,(H,13,14) |
| InChI Key | QPWCCVDBCKPKPV-UHFFFAOYSA-N |
| MDL Number | MFCD03566949 |
| Molecular Formula | C8H12N4O2S |
| Molecular Weight | 228.2715 |
| SMILES | OC(CSC1N(C2CCCC2)N=NN=1)=O |
| Synonyms | [(1-cyclopentyl-1H-tetrazol-5-yl)thio]acetic acid,
531536-55-7,
2-[(1-cyclopentyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]acetic acid,
AC1Q76DO,
CTK8F2206,
ZINC9596236,
STK326572,
AKOS000264541,
MCULE-3997735021,
NE31712,
EN300-25711,
AB00758106-01,
[(1-cyclopentyl-1H-tetrazol-5-yl)sulfanyl]acetic acid,
|
| Complexity | 235 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 228.068g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 6 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 228.27g/mol |
| Monoisotopic Mass | 228.068g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 106A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.2 |
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Certificate of Analysis
Lot Number