4-Isothiocyanato-1,5-dimethyl-1H-pyrazole - CAS 1001500-56-6
Catalog: |
BB000107 |
Product Name: |
4-Isothiocyanato-1,5-dimethyl-1H-pyrazole |
CAS: |
1001500-56-6 |
Synonyms: |
4-isothiocyanato-1,5-dimethylpyrazole; 4-isothiocyanato-1,5-dimethylpyrazole |
IUPAC Name: | 4-isothiocyanato-1,5-dimethylpyrazole |
Description: | 2-Carboxyethyl acrylate (CAS# 24615-84-7 ) is a useful research chemical. |
Molecular Weight: | 153.20 |
Molecular Formula: | C6H7N3S |
Canonical SMILES: | CC1=C(C=NN1C)N=C=S |
InChI: | InChI=1S/C6H7N3S/c1-5-6(7-4-10)3-8-9(5)2/h3H,1-2H3 |
InChI Key: | HZQTZVZRYBOOJW-UHFFFAOYSA-N |
LogP: | 1.46280 |
Complexity: | 164 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 153.03606841 |
Formal Charge: | 0 |
Heavy Atom Count: | 10 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 153.03606841 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 62.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2 |
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