5-[(4-Methyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde - CAS 938459-16-6
Catalog: |
BB041112 |
Product Name: |
5-[(4-Methyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde |
CAS: |
938459-16-6 |
Synonyms: |
5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-carbaldehyde |
IUPAC Name: | 5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-carbaldehyde |
Description: | 5-[(4-Methyl-4H-1,2,4-triazol-3-yl)thio]-2-furaldehyde (CAS# 938459-16-6) is a useful research chemical. |
Molecular Weight: | 209.23 |
Molecular Formula: | C8H7N3O2S |
Canonical SMILES: | CN1C=NN=C1SC2=CC=C(O2)C=O |
InChI: | InChI=1S/C8H7N3O2S/c1-11-5-9-10-8(11)14-7-3-2-6(4-12)13-7/h2-5H,1H3 |
InChI Key: | KMBWSLQWLYHFMA-UHFFFAOYSA-N |
Boiling Point: | 448.6 °C at 760 mmHg |
Density: | 1.47 g/cm3 |
MDL: | MFCD09055399 |
LogP: | 1.37180 |
Complexity: | 217 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 209.02589765 |
Formal Charge: | 0 |
Heavy Atom Count: | 14 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 209.02589765 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 86.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 1 |
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