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23195-30-4 | 3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-methoxyphenyl)-4-(2-propen-1-yl)-
CAS No: 23195-30-4 Catalog No: AG002MHO MDL No:MFCD01959323
Product Description
Catalog Number:
AG002MHO
Chemical Name:
3H-1,2,4-Triazole-3-thione, 2,4-dihydro-5-(2-methoxyphenyl)-4-(2-propen-1-yl)-
CAS Number:
23195-30-4
Molecular Formula:
C12H13N3OS
Molecular Weight:
247.3161
MDL Number:
MFCD01959323
IUPAC Name:
3-(2-methoxyphenyl)-4-prop-2-enyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H13N3OS/c1-3-8-15-11(13-14-12(15)17)9-6-4-5-7-10(9)16-2/h3-7H,1,8H2,2H3,(H,14,17)
InChI Key:
DPRJSPFDWWPZKN-UHFFFAOYSA-N
SMILES:
C=CCn1c(=S)[nH]nc1c1ccccc1OC
Properties
Complexity:
343
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.078g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
247.316g/mol
Monoisotopic Mass:
247.078g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
69A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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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