Name: Name:5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole-2-thiol
Brand: Angene
SKU: AG01AA1L
Rating: 90 (10 reviews)

5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole-2-thiol

CAS No.:

1152542-00-1

Catalog Number:

AG01AA1L

Molecular Formula:

C9H6ClFN2OS

Molecular Weight:

244.6731

Catalog Number:

AG01AA1L

Chemical Name:

5-[(2-chloro-6-fluorophenyl)methyl]-1,3,4-oxadiazole-2-thiol

CAS Number:

1152542-00-1

Molecular Formula:

C9H6ClFN2OS

Molecular Weight:

244.6731

MDL Number:

MFCD10694451

IUPAC Name:

5-[(2-chloro-6-fluorophenyl)methyl]-3H-1,3,4-oxadiazole-2-thione

InChI:

InChI=1S/C9H6ClFN2OS/c10-6-2-1-3-7(11)5(6)4-8-12-13-9(15)14-8/h1-3H,4H2,(H,13,15)

InChI Key:

RHITZEQDAPOBMB-UHFFFAOYSA-N

SMILES:

Sc1nnc(o1)Cc1c(F)cccc1Cl

Complexity:

300

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

243.987g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

244.668g/mol

Monoisotopic Mass:

243.987g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

2.7