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Home > Pyridines > 352661-33-7
352661-33-7 | 4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS No: 352661-33-7 Catalog No: AG019J19 MDL No:MFCD01408822
Product Description
Catalog Number:
AG019J19
Chemical Name:
4-(furan-2-ylmethyl)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol
CAS Number:
352661-33-7
Molecular Formula:
C12H10N4OS
Molecular Weight:
258.2990
MDL Number:
MFCD01408822
IUPAC Name:
4-(furan-2-ylmethyl)-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C12H10N4OS/c18-12-15-14-11(9-3-5-13-6-4-9)16(12)8-10-2-1-7-17-10/h1-7H,8H2,(H,15,18)
InChI Key:
PRWBCAUIHYTNSI-UHFFFAOYSA-N
SMILES:
Sc1nnc(n1Cc1ccco1)c1ccncc1
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
258.058g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
258.299g/mol
Monoisotopic Mass:
258.058g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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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