1-Ethyl-3-methyl-1H-pyrazole-5-sulfonyl Chloride - CAS 1245820-78-3
Catalog: |
BB005924 |
Product Name: |
1-Ethyl-3-methyl-1H-pyrazole-5-sulfonyl Chloride |
CAS: |
1245820-78-3 |
Synonyms: |
2-ethyl-5-methyl-3-pyrazolesulfonyl chloride; 2-ethyl-5-methylpyrazole-3-sulfonyl chloride |
IUPAC Name: | 2-ethyl-5-methylpyrazole-3-sulfonyl chloride |
Description: | 1-Ethyl-3-methyl-1H-pyrazole-5-sulfonyl Chloride (CAS# 1245820-78-3) is a useful research chemical. |
Molecular Weight: | 208.67 |
Molecular Formula: | C6H9ClN2O2S |
Canonical SMILES: | CCN1C(=CC(=N1)C)S(=O)(=O)Cl |
InChI: | InChI=1S/C6H9ClN2O2S/c1-3-9-6(12(7,10)11)4-5(2)8-9/h4H,3H2,1-2H3 |
InChI Key: | QQBFNCQPUTUDPV-UHFFFAOYSA-N |
GHS Hazard Statement: | H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation] |
Precautionary Statement: | P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501 |
Signal Word: | Danger |
Complexity: | 249 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 208.0073264 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 208.0073264 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 60.3 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1.3 |
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