| CAS Number | 944835-85-2 |
| Catalog Number | AG00II7Q |
| Chemical Name | 2-(1H-INDAZOL-6-YLTHIO)-N-METHYL-BENZAMIDE |
| IUPAC Name | 2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide |
| InChI | InChI=1S/C15H13N3OS/c1-16-15(19)12-4-2-3-5-14(12)20-11-7-6-10-9-17-18-13(10)8-11/h2-9H,1H3,(H,16,19)(H,17,18) |
| InChI Key | JBFLDDCNCFRBIG-UHFFFAOYSA-N |
| MDL Number | MFCD23104312 |
| Molecular Formula | C15H13N3OS |
| Molecular Weight | 283.3482 |
| SMILES | O=C(NC)C1=CC=CC=C1SC2=CC3=C(C=C2)C=NN3 |
| Synonyms | 944835-85-2,
2-(1H-Indazol-6-ylthio)-N-methyl-benzamide,
2-((1H-indazol-6-yl)thio)-N-methylbenzamide,
2-(1H-indazol-6-ylsulfanyl)-N-methylbenzamide,
Benzamide, 2-(1H-indazol-6-ylthio)-N-methyl-,
2-(1H-indazol-6-ylthio)-N-methylbenzamide,
SCHEMBL13446109,
2-(1H-indazol-6-ylthio)-N-methyl,
MFCD23104312,
ZINC34639527,
ACN-027480,
AS-47073,
2-(1H-indazol-6-ylthio)-N-Methyl- BenzaMide,
L-1498,
- Benzamide,
CID11716138,
2-(1H-indazol-6-ylsulfanyl)-N-methyl-benzamide,
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| Complexity | 352 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 283.078g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 283.349g/mol |
| Monoisotopic Mass | 283.078g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 83.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
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