Name: Name:5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-thiol
Brand: Angene
SKU: AG01AA17
Rating: 90 (10 reviews)

5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-thiol

CAS No.:

1038368-50-1

Catalog Number:

AG01AA17

Molecular Formula:

C10H10N2O2S

Molecular Weight:

222.2636

Catalog Number:

AG01AA17

Chemical Name:

5-[(3-methoxyphenyl)methyl]-1,3,4-oxadiazole-2-thiol

CAS Number:

1038368-50-1

Molecular Formula:

C10H10N2O2S

Molecular Weight:

222.2636

MDL Number:

MFCD16716810

IUPAC Name:

5-[(3-methoxyphenyl)methyl]-3H-1,3,4-oxadiazole-2-thione

InChI:

InChI=1S/C10H10N2O2S/c1-13-8-4-2-3-7(5-8)6-9-11-12-10(15)14-9/h2-5H,6H2,1H3,(H,12,15)

InChI Key:

SIFMIXUMYIIXFG-UHFFFAOYSA-N

SMILES:

COc1cccc(c1)Cc1nnc(o1)S

Complexity:

281

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

222.046g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

222.262g/mol

Monoisotopic Mass:

222.046g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

1.9