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1596350-40-1 | Pyrrolo[2,1-f][1,2,4]triazine, 4-(methylthio)-
CAS No: 1596350-40-1 Catalog No: AG001R92 MDL No:MFCD28674592
Product Description
Catalog Number:
AG001R92
Chemical Name:
Pyrrolo[2,1-f][1,2,4]triazine, 4-(methylthio)-
CAS Number:
1596350-40-1
Molecular Formula:
C7H7N3S
Molecular Weight:
165.2156
MDL Number:
MFCD28674592
IUPAC Name:
4-methylsulfanylpyrrolo[2,1-f][1,2,4]triazine
InChI:
InChI=1S/C7H7N3S/c1-11-7-6-3-2-4-10(6)9-5-8-7/h2-5H,1H3
InChI Key:
NZVMANGDZUBESL-UHFFFAOYSA-N
SMILES:
CSc1ncnn2c1ccc2
Properties
Complexity:
142
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.036g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
165.214g/mol
Monoisotopic Mass:
165.036g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
55.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3
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