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28735-27-5 | 1,2,4-Triazine, 3-(methylthio)-5-phenyl-
CAS No: 28735-27-5 Catalog No: AG002WA9 MDL No:MFCD00647352
Product Description
Catalog Number:
AG002WA9
Chemical Name:
1,2,4-Triazine, 3-(methylthio)-5-phenyl-
CAS Number:
28735-27-5
Molecular Formula:
C10H9N3S
Molecular Weight:
203.2636
MDL Number:
MFCD00647352
IUPAC Name:
3-methylsulfanyl-5-phenyl-1,2,4-triazine
InChI:
InChI=1S/C10H9N3S/c1-14-10-12-9(7-11-13-10)8-5-3-2-4-6-8/h2-7H,1H3
InChI Key:
MAPCYWNEYALWSN-UHFFFAOYSA-N
SMILES:
CSc1nncc(n1)c1ccccc1
NSC Number:
146049
Properties
Complexity:
171
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
203.052g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
203.263g/mol
Monoisotopic Mass:
203.052g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
64A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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