| CAS Number | 1269292-87-6 |
| Catalog Number | AG000TK8(AGN-PC-0WAMTJ) |
| Chemical Name | 1-Methyl-5-(thiophen-3-yl)-1H-pyrazole |
| IUPAC Name | 1-methyl-5-thiophen-3-ylpyrazole |
| InChI | InChI=1S/C8H8N2S/c1-10-8(2-4-9-10)7-3-5-11-6-7/h2-6H,1H3 |
| InChI Key | XRWDQVRBGPLPSQ-UHFFFAOYSA-N |
| MDL Number | MFCD20275408 |
| Molecular Formula | C8H8N2S |
| Molecular Weight | 164.2275 |
| SMILES | CN1N=CC=C1C1=CSC=C1 |
| Synonyms | 1-methyl-5-(thiophen-3-yl)-1H-pyrazole,
1269292-87-6,
AK139549,
KS-00000PES,
DTXSID20719001,
1-methyl-5-thiophen-3-ylpyrazole,
MFCD20275408,
ZINC72190477,
AKOS022172721,
ACN-000393,
DS-6695,
FCH2311533,
1H-Pyrazole, 1-methyl-5-(3-thienyl)-,
AJ-119221,
AX8221593,
|
| Complexity | 140 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 164.041g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 11 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 164.226g/mol |
| Monoisotopic Mass | 164.041g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 46.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H332-H335
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Packing Group
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Precautionary statements
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P261-P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number