4-{[4-ethyl-6-(propan-2-yl)-1,3,5-triazin-2-yl]sulfanyl}butanoic acid - CAS 1523570-98-0
Catalog: |
BB010779 |
Product Name: |
4-{[4-ethyl-6-(propan-2-yl)-1,3,5-triazin-2-yl]sulfanyl}butanoic acid |
CAS: |
1523570-98-0 |
Synonyms: |
4-[(4-ethyl-6-propan-2-yl-1,3,5-triazin-2-yl)thio]butanoic acid; 4-[(4-ethyl-6-propan-2-yl-1,3,5-triazin-2-yl)sulfanyl]butanoic acid |
IUPAC Name: | 4-[(4-ethyl-6-propan-2-yl-1,3,5-triazin-2-yl)sulfanyl]butanoic acid |
Description: | 4-{[4-ethyl-6-(propan-2-yl)-1,3,5-triazin-2-yl]sulfanyl}butanoic acid (CAS# 1523570-98-0 ) is a useful research chemical. |
Molecular Weight: | 269.363 |
Molecular Formula: | C12H19N3O2S |
Canonical SMILES: | CCC1=NC(=NC(=N1)SCCCC(=O)O)C(C)C |
InChI: | InChI=1S/C12H19N3O2S/c1-4-9-13-11(8(2)3)15-12(14-9)18-7-5-6-10(16)17/h8H,4-7H2,1-3H3,(H,16,17) |
InChI Key: | PBMIABRJOXWCNX-UHFFFAOYSA-N |
Complexity: | 264 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 269.11979803 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 1 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 269.11979803 |
Rotatable Bond Count: | 7 |
Topological Polar Surface Area: | 101 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.7 |
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