(2E)-3-[3,5-Bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-cyano-2-propenethioamide
Properties
- Molecular formula
- C18H24N2OS
- Molar mass
- 316.46 g/mol
- Exact mass
- 316.1609 Da
- logP
- 4.80Crippen estimate
- Polar surface area
- 67.9 Ų
- H-bond donors / acceptors
- 3 / 3
- Rotatable bonds
- 2
Identifiers
CAS number
148741-30-4SMILES
CC(C)(C)c1cc(/C=C(C#N)C(=N)S)cc(C(C)(C)C)c1OInChIKey
XRZYELWZLNAXGE-KPKJPENVSA-NInChI
InChI=1S/C18H24N2OS/c1-17(2,3)13-8-11(7-12(10-19)16(20)22)9-14(15(13)21)18(4,5)6/h7-9,21H,1-6H3,(H2,20,22)/b12-7+Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
4 names
- 2-Propenethioamide, 3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-cyano-, (2E)-
- 2-Propenethioamide, 3-[3,5-bis(1,1-dimethylethyl)-4-hydroxyphenyl]-2-cyano-, (E)-
- AG 879
- Tyrphostin AG 879