≥98% for sensitive chromatographic and analytical workflows requiring minimal baseline interference.
Room temperature Ships Normal Check lot-specific COA for exact specifications.
SDS, COA, datasheet, and spec sheet available for download. Lot-specific COA accessible via lot number lookup.
Cited in 0 peer-reviewed publications across chromatography, organic synthesis, and cross-coupling reactions.
| Pubchem Sid | 504767261 |
|---|---|
| Pubchem Sid Url | https://pubchem.ncbi.nlm.nih.gov/substance/504767261 |
| Canonical Smiles | CN1C(=NN=N1)SCC2=C(N3C(C(C3=O)(N)OC)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5 |
| IUPAC Name | benzhydryl (6R,7S)-7-amino-7-methoxy-3-[(1-methyltetrazol-5-yl)sulfanylmethyl]-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate |
| InChIKey | QGXKMJVEULWQSB-VWNXMTODSA-N |
| INCHI | 1S/C24H24N6O4S2/c1-29-23(26-27-28-29)36-14-17-13-35-22-24(25,33-2)21(32)30(22)18(17)20(31)34-19(15-9-5-3-6-10-15)16-11-7-4-8-12-16/h3-12,19,22H,13-14,25H2,1-2H3/t22-,24+/m1/s1 |
| Isomeric SMILES | CN1C(=NN=N1)SCC2=C(N3[C@@H]([C@@](C3=O)(N)OC)SC2)C(=O)OC(C4=CC=CC=C4)C5=CC=CC=C5 |
| Molecular Weight | 524.61 |
| Reaxy-Rn | 1097499 |
| Reaxys-RN_link_address | https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1097499&ln= |
Comprehensive hazard, handling, storage, and regulatory compliance document.
Download SDS →Lot-specific quality data. Enter your lot number to retrieve the exact COA.
Look up COA →Full quality attributes and acceptance criteria for this grade.
View spec sheet →Taxonomy Tree
| Kingdom | Organic compounds |
|---|---|
| Superclass | Benzenoids |
| Class | Benzene and substituted derivatives |
| Subclass | Diphenylmethanes |
| Intermediate Tree Nodes | Not available |
| Direct Parent | Diphenylmethanes |
| Alternative Parents | Alpha amino acids and derivatives Benzyloxycarbonyls Cephems Alkylarylthioethers 1,3-thiazines Tetrazoles Tertiary carboxylic acid amides Enoate esters Heteroaromatic compounds Azetidines Dialkylthioethers Monocarboxylic acids and derivatives Thiohemiaminal derivatives Azacyclic compounds Sulfenyl compounds Carbonyl compounds Organic oxides Organonitrogen compounds Hydrocarbon derivatives |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Substituents | Diphenylmethane - Alpha-amino acid or derivatives - Benzyloxycarbonyl - Cephem - Aryl thioether - Alkylarylthioether - Meta-thiazine - Azole - Beta-lactam - Alpha,beta-unsaturated carboxylic ester - Enoate ester - Tetrazole - Tertiary carboxylic acid amide - Heteroaromatic compound - Lactam - Carboxamide group - Carboxylic acid ester - Azetidine - Azacycle - Organoheterocyclic compound - Dialkylthioether - Carboxylic acid derivative - Sulfenyl compound - Hemithioaminal - Thioether - Monocarboxylic acid or derivatives - Organic oxide - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organosulfur compound - Carbonyl group - Organonitrogen compound - Organooxygen compound - Aromatic heteropolycyclic compound |
| Description | This compound belongs to the class of organic compounds known as diphenylmethanes. These are compounds containing a diphenylmethane moiety, which consists of a methane wherein two hydrogen atoms are replaced by two phenyl groups. |
| External Descriptors | Not available |
Find and download the COA for your product by matching the lot number on the packaging.
| Lot Number | Certificate Type | Date | Item |
|---|---|---|---|
 I1424050 | Certificate of Analysis | Apr 15, 2026 | M123025 |
| E1408073 | Certificate of Analysis | Jan 05, 2026 | M123025 |
| B2318118 | Certificate of Analysis | Feb 21, 2023 | M123025 |
| B2318145 | Certificate of Analysis | Feb 21, 2023 | M123025 |
| K1827092 | Certificate of Analysis | Sep 19, 2022 | M123025 |
| Melt Point(°C) | 120°C |
|---|---|
| Molecular Weight | 524.600 g/mol |
| XLogP3 | 2.200 |
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 10 |
| Rotatable Bond Count | 9 |
| Exact Mass | 524.13 Da |
| Monoisotopic Mass | 524.13 Da |
| Topological Polar Surface Area | 176.000 Ų |
| Heavy Atom Count | 36 |
| Formal Charge | 0 |
| Complexity | 848.000 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 2 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| The total count of all stereochemical bonds | 0 |
| Covalently-Bonded Unit Count | 1 |
