| CAS Number | 502133-09-7 |
| Catalog Number | AG00DBD7(AGN-PC-0L0BMS) |
| Chemical Name | 5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-amine |
| IUPAC Name | 5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-amine |
| InChI | InChI=1S/C7H6ClN3S/c8-6-2-1-5(12-6)4-3-7(9)11-10-4/h1-3H,(H3,9,10,11) |
| InChI Key | QVOHWTUHWAZFDM-UHFFFAOYSA-N |
| MDL Number | MFCD19348773 |
| Molecular Formula | C7H6ClN3S |
| Molecular Weight | 199.6606 |
| SMILES | NC1=NNC(C2SC(Cl)=CC=2)=C1 |
| Synonyms | 5-(5-chlorothiophen-2-yl)-1H-pyrazol-3-amine,
502133-09-7,
3-(5-Chlorothiophen-2-yl)-1H-pyrazol-5-amine,
AC1MWV88,
DTXSID50396687,
ZINC5594876,
2970AJ,
MFCD02664295,
AKOS011559516,
AKOS022359447,
MCULE-5328046119,
NE44418,
QC-5849,
AJ-54374,
AS-43796,
C7H6ClN3S,
CID3805624,
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| Complexity | 169 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 198.997g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 199.656g/mol |
| Monoisotopic Mass | 198.997g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 82.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
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Certificate of Analysis
Lot Number