(5-Cyclohexyl-4-methyl-4H-[1,2,4]triazol-3-yl-sulfanyl)acetic acid - CAS 462066-86-0
Catalog: |
BB045652 |
Product Name: |
(5-Cyclohexyl-4-methyl-4H-[1,2,4]triazol-3-yl-sulfanyl)acetic acid |
CAS: |
462066-86-0 |
Synonyms: |
[(5-cyclohexyl-4-methyl-4H-1,2,4-triazol-3-yl)thio]acetic acid |
IUPAC Name: | 2-[(5-cyclohexyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetic acid |
Description: | (5-Cyclohexyl-4-methyl-4H-[1,2,4]triazol-3-yl-sulfanyl)acetic acid (CAS# 462066-86-0 ) is a useful research chemical. |
Molecular Weight: | 255.34 |
Molecular Formula: | C11H17N3O2S |
Canonical SMILES: | CN1C(=NN=C1SCC(=O)O)C2CCCCC2 |
InChI: | InChI=1S/C11H17N3O2S/c1-14-10(8-5-3-2-4-6-8)12-13-11(14)17-7-9(15)16/h8H,2-7H2,1H3,(H,15,16) |
InChI Key: | BNHIXPXOCQCHTR-UHFFFAOYSA-N |
Purity: | > 95 % |
Complexity: | 271 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 255.10414797 |
Formal Charge: | 0 |
Heavy Atom Count: | 17 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 255.10414797 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 93.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.1 |
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