4-(3-Methoxypropyl)-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol - CAS 1002032-55-4
Catalog: |
BB045566 |
Product Name: |
4-(3-Methoxypropyl)-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol |
CAS: |
1002032-55-4 |
Synonyms: |
4-(3-methoxypropyl)-5-[(3-methylpyrazolyl)methyl]-1,2,4-triazole-3-thiol |
IUPAC Name: | 4-(3-methoxypropyl)-3-[(3-methylpyrazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione |
Description: | 4-(3-Methoxypropyl)-5-[(3-methyl-1H-pyrazol-1-yl)methyl]-4H-1,2,4-triazole-3-thiol (CAS# 1002032-55-4 ) is a useful research chemical. |
Molecular Weight: | 267.35 |
Molecular Formula: | C11H17N5OS |
Canonical SMILES: | CC1=NN(C=C1)CC2=NNC(=S)N2CCCOC |
InChI: | InChI=1S/C11H17N5OS/c1-9-4-6-15(14-9)8-10-12-13-11(18)16(10)5-3-7-17-2/h4,6H,3,5,7-8H2,1-2H3,(H,13,18) |
InChI Key: | GTESSCIEUWEAJL-UHFFFAOYSA-N |
Purity: | > 95 % |
Complexity: | 335 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 267.11538136 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 4 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 267.11538136 |
Rotatable Bond Count: | 6 |
Topological Polar Surface Area: | 86.8 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.7 |
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