Name: Name:5-(2-fluorophenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG019J0T
Rating: 90 (10 reviews)

5-(2-fluorophenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

CAS No.:

735322-61-9

Catalog Number:

AG019J0T

Molecular Formula:

C12H12FN3OS

Molecular Weight:

265.3066

Catalog Number:

AG019J0T

Chemical Name:

5-(2-fluorophenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol

CAS Number:

735322-61-9

Molecular Formula:

C12H12FN3OS

Molecular Weight:

265.3066

MDL Number:

MFCD04614712

IUPAC Name:

3-[(2-fluorophenoxy)methyl]-4-prop-2-enyl-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C12H12FN3OS/c1-2-7-16-11(14-15-12(16)18)8-17-10-6-4-3-5-9(10)13/h2-6H,1,7-8H2,(H,15,18)

InChI Key:

CESMKDXVOAIXTR-UHFFFAOYSA-N

SMILES:

C=CCn1c(COc2ccccc2F)nnc1S

Complexity:

361

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

265.069g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

265.306g/mol

Monoisotopic Mass:

265.069g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

69A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.4