Name: Name:5-{[(4-fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol
Brand: Angene
SKU: AG019ORR
Rating: 90 (10 reviews)

5-{[(4-fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol

CAS No.:

871801-99-9

Catalog Number:

AG019ORR

Molecular Formula:

C9H8FN3S2

Molecular Weight:

241.3083

Catalog Number:

AG019ORR

Chemical Name:

5-{[(4-fluorophenyl)methyl]amino}-1,3,4-thiadiazole-2-thiol

CAS Number:

871801-99-9

Molecular Formula:

C9H8FN3S2

Molecular Weight:

241.3083

MDL Number:

MFCD07354363

IUPAC Name:

5-[(4-fluorophenyl)methylamino]-3H-1,3,4-thiadiazole-2-thione

InChI:

InChI=1S/C9H8FN3S2/c10-7-3-1-6(2-4-7)5-11-8-12-13-9(14)15-8/h1-4H,5H2,(H,11,12)(H,13,14)

InChI Key:

NLVPLBFNQFSENM-UHFFFAOYSA-N

SMILES:

Fc1ccc(cc1)CNc1nnc(s1)S

Complexity:

275

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

241.014g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

241.302g/mol

Monoisotopic Mass:

241.014g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

93.8A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.3