Name: Name:2-[(4-tert-Butylphenyl)sulfanyl]acetic acid
Brand: AABLOCKS
SKU: AA00736M
Rating: 90 (10 reviews)

Technical Information

Catalog Number: AA00736M

Chemical Name: 2-[(4-tert-Butylphenyl)sulfanyl]acetic acid

CAS Number: 4365-63-3

Molecular Formula: C12H16O2S

Molecular Weight: 224.3192

MDL Number: MFCD00224775

SMILES: OC(=O)CSc1ccc(cc1)C(C)(C)C

NSC Number: 74260

Properties

Complexity: 212

Covalently-Bonded Unit Count: 1

Defined Atom Stereocenter Count: 0

Defined Bond Stereocenter Count: 0

Formal Charge: 0

Heavy Atom Count: 15

Hydrogen Bond Acceptor Count: 3

Hydrogen Bond Donor Count: 1

Isotope Atom Count: 0

Rotatable Bond Count: 4

Undefined Atom Stereocenter Count: 0

Undefined Bond Stereocenter Count: 0

XLogP3: 3.6

Downstream Synthesis Route

769-92-6

4365-63-3

[1]Oksengendler;Losinskii[UkrainskijKhimicheskijZhurnal,1959,vol.25,p.95,97][Chem.Abstr.,1959,p.20028]

4365-63-3

62025-38-1

[1]Oksengendler;Losinskii[UkrainskijKhimicheskijZhurnal,1959,vol.25,p.95,97][Chem.Abstr.,1959,p.20028]

[2]Meier,Helmut;Luettke,Wolfgang[LiebigsAnnalenderChemie,1981,#7,p.1303-1333]

4365-63-3

3937-98-2

[1]Kenney,W.etal.[JournaloftheAmericanChemicalSociety,1961,vol.83,p.4019-4022]

[2]Pasto,D.J.etal.[JournalofOrganicChemistry,1965,vol.30,p.2688-2691]

4365-63-3

3996-44-9

[1]Kenney,W.etal.[JournaloftheAmericanChemicalSociety,1961,vol.83,p.4019-4022]

[2]Subramaniam,Perumal;Selvi,NatesanThamil;Devi,SoundarapandianSugirtha[JournaloftheKoreanChemicalSociety,2014,vol.58,#1,p.17-24]

[3]Subramaniam;Anbarasan;SugirthaDevi;Ramdass[Polyhedron,2016,vol.119,p.14-22]

[4]Subramaniam,Perumal;JanetSylviaJabaRose,Jebamoney;JeeviEstherRathinakumari,Rajasingh[JournalofPhysicalOrganicChemistry,2016,vol.29,#10,p.496-504]

[5]Kavitha;Subramaniam[Polyhedron,2020,vol.175]

79-11-8

2396-68-1

4365-63-3

[1]Kenney,W.etal.[JournaloftheAmericanChemicalSociety,1961,vol.83,p.4019-4022]

[2]Pasto,D.J.etal.[JournalofOrganicChemistry,1965,vol.30,p.2688-2691]

[3]Subramaniam,Perumal;Selvi,NatesanThamil;Devi,SoundarapandianSugirtha[JournaloftheKoreanChemicalSociety,2014,vol.58,#1,p.17-24]

[4]Subramaniam;Anbarasan;SugirthaDevi;Ramdass[Polyhedron,2016,vol.119,p.14-22]Subramaniam,Perumal;JanetSylviaJabaRose,Jebamoney;JeeviEstherRathinakumari,Rajasingh[JournalofPhysicalOrganicChemistry,2016,vol.29,#10,p.496-504]

[5]Kavitha,C.;Subramaniam,P.[Polyhedron,2020,vol.189]

4365-63-3 | 2-[(4-tert-Butylphenyl)sulfanyl]acetic acid