Name: Name:5-(4-tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol
Brand: Angene
SKU: AG019HDS
Rating: 90 (10 reviews)

5-(4-tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol

CAS No.:

80549-62-8

Catalog Number:

AG019HDS

Molecular Formula:

C13H16N2O2S

Molecular Weight:

264.3433

Catalog Number:

AG019HDS

Chemical Name:

5-(4-tert-butylphenoxymethyl)-1,3,4-oxadiazole-2-thiol

CAS Number:

80549-62-8

Molecular Formula:

C13H16N2O2S

Molecular Weight:

264.3433

MDL Number:

MFCD03923643

IUPAC Name:

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

InChI:

InChI=1S/C13H16N2O2S/c1-13(2,3)9-4-6-10(7-5-9)16-8-11-14-15-12(18)17-11/h4-7H,8H2,1-3H3,(H,15,18)

InChI Key:

SCIKBGWQQVYQRC-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)OCc1nnc(o1)S)(C)C

Complexity:

341

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

264.093g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

264.343g/mol

Monoisotopic Mass:

264.093g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

74.9A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7