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91813-63-7 | 4-ALLYL-5-PYRIDIN-2-YL-4H-1,2,4-TRIAZOLE-3-THIOL
CAS No: 91813-63-7 Catalog No: AG00GTRR MDL No:MFCD00099436
Product Description
Catalog Number:
AG00GTRR
Chemical Name:
4-ALLYL-5-PYRIDIN-2-YL-4H-1,2,4-TRIAZOLE-3-THIOL
CAS Number:
91813-63-7
Molecular Formula:
C10H10N4S
Molecular Weight:
218.2782
MDL Number:
MFCD00099436
IUPAC Name:
4-prop-2-enyl-3-pyridin-2-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C10H10N4S/c1-2-7-14-9(12-13-10(14)15)8-5-3-4-6-11-8/h2-6H,1,7H2,(H,13,15)
InChI Key:
GQUMJEVEIZJHNE-UHFFFAOYSA-N
SMILES:
C=CCn1c(=S)[nH]nc1c1ccccn1
NSC Number:
609095
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.063g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.278g/mol
Monoisotopic Mass:
218.063g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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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