Name: Name:5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol
Brand: Angene
SKU: AG01A0N5
Rating: 90 (10 reviews)

5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS No.:

324052-31-5

Catalog Number:

AG01A0N5

Molecular Formula:

C11H9N3O2S

Molecular Weight:

247.2731

Catalog Number:

AG01A0N5

Chemical Name:

5-(furan-2-yl)-4-(furan-2-ylmethyl)-4H-1,2,4-triazole-3-thiol

CAS Number:

324052-31-5

Molecular Formula:

C11H9N3O2S

Molecular Weight:

247.2731

MDL Number:

MFCD01166545

IUPAC Name:

3-(furan-2-yl)-4-(furan-2-ylmethyl)-1H-1,2,4-triazole-5-thione

InChI:

InChI=1S/C11H9N3O2S/c17-11-13-12-10(9-4-2-6-16-9)14(11)7-8-3-1-5-15-8/h1-6H,7H2,(H,13,17)

InChI Key:

FNEXVRSIDFIWBL-UHFFFAOYSA-N

SMILES:

Sc1nnc(n1Cc1ccco1)c1ccco1

Complexity:

348

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

247.042g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

247.272g/mol

Monoisotopic Mass:

247.042g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

86A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.6