4-bromo-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine - CAS 1823371-80-7
Catalog: |
BB013922 |
Product Name: |
4-bromo-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine |
CAS: |
1823371-80-7 |
Synonyms: |
4-bromo-2-(methylthio)pyrrolo[2,1-f][1,2,4]triazine; 4-bromo-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine |
IUPAC Name: | 4-bromo-2-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine |
Description: | 4-bromo-2-(methylsulfanyl)pyrrolo[2,1-f][1,2,4]triazine (CAS# 1823371-80-7 ) is a useful research chemical. |
Molecular Weight: | 244.11 |
Molecular Formula: | C7H6BrN3S |
Canonical SMILES: | CSC1=NN2C=CC=C2C(=N1)Br |
InChI: | InChI=1S/C7H6BrN3S/c1-12-7-9-6(8)5-3-2-4-11(5)10-7/h2-4H,1H3 |
InChI Key: | NFDXYSLOIFNBKI-UHFFFAOYSA-N |
Complexity: | 169 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 242.94658 |
Formal Charge: | 0 |
Heavy Atom Count: | 12 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 242.94658 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 55.5 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 2.3 |
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