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116850-51-2 | 4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-thienyl)-
CAS No: 116850-51-2 Catalog No: AG000DAZ MDL No:MFCD00097806
Product Description
Catalog Number:
AG000DAZ
Chemical Name:
4H-1,2,4-Triazole, 4-methyl-3-(methylthio)-5-(2-thienyl)-
CAS Number:
116850-51-2
Molecular Formula:
C8H9N3S2
Molecular Weight:
211.3072
MDL Number:
MFCD00097806
IUPAC Name:
4-methyl-3-methylsulfanyl-5-thiophen-2-yl-1,2,4-triazole
InChI:
InChI=1S/C8H9N3S2/c1-11-7(6-4-3-5-13-6)9-10-8(11)12-2/h3-5H,1-2H3
InChI Key:
GKGGLWHLQWXTQX-UHFFFAOYSA-N
SMILES:
CSc1nnc(n1C)c1cccs1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
211.024g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
211.301g/mol
Monoisotopic Mass:
211.024g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
84.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.6
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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