Name: Name:5-[4-(TERT-BUTYL)PHENYL]-1,3,4-OXADIAZOLE-2-THIOL
Brand: Angene
SKU: AG00BGWD
Rating: 90 (10 reviews)

5-[4-(TERT-BUTYL)PHENYL]-1,3,4-OXADIAZOLE-2-THIOL

CAS No.:

306936-90-3

Catalog Number:

AG00BGWD

Molecular Formula:

C12H14N2OS

Molecular Weight:

234.3174

Catalog Number:

AG00BGWD

Chemical Name:

5-[4-(TERT-BUTYL)PHENYL]-1,3,4-OXADIAZOLE-2-THIOL

CAS Number:

306936-90-3

Molecular Formula:

C12H14N2OS

Molecular Weight:

234.3174

MDL Number:

MFCD00500939

IUPAC Name:

5-(4-tert-butylphenyl)-3H-1,3,4-oxadiazole-2-thione

InChI:

InChI=1S/C12H14N2OS/c1-12(2,3)9-6-4-8(5-7-9)10-13-14-11(16)15-10/h4-7H,1-3H3,(H,14,16)

InChI Key:

ATIYHEZPBLMRNI-UHFFFAOYSA-N

SMILES:

CC(c1ccc(cc1)c1nnc(o1)S)(C)C

Complexity:

312

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

234.083g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

234.317g/mol

Monoisotopic Mass:

234.083g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

65.7A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

3.7