Name: Name:5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole-2-thiol
Brand: Angene
SKU: AG01AADS
Rating: 90 (10 reviews)

5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole-2-thiol

CAS No.:

168638-04-8

Catalog Number:

AG01AADS

Molecular Formula:

C11H12N2OS

Molecular Weight:

220.2908

Catalog Number:

AG01AADS

Chemical Name:

5-(2,4,6-trimethylphenyl)-1,3,4-oxadiazole-2-thiol

CAS Number:

168638-04-8

Molecular Formula:

C11H12N2OS

Molecular Weight:

220.2908

MDL Number:

MFCD11201465

IUPAC Name:

5-(2,4,6-trimethylphenyl)-3H-1,3,4-oxadiazole-2-thione

InChI:

InChI=1S/C11H12N2OS/c1-6-4-7(2)9(8(3)5-6)10-12-13-11(15)14-10/h4-5H,1-3H3,(H,13,15)

InChI Key:

XBPSHAKHRMRFHC-UHFFFAOYSA-N

SMILES:

Cc1cc(C)c(c(c1)C)c1nnc(o1)S

Complexity:

291

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

220.067g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

220.29g/mol

Monoisotopic Mass:

220.067g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.1