CC(C)(C)C1=CC=C(C=C1)S
CAS: 2396-68-1
Название: 4-tert-butylbenzenethiol
SMILES: CC(C)(C)C1=CC=C(C=C1)S

Molecular Processing

Molecular formula
C10H14S
Molecular weight
166.29
Exact mass
166.0816
XLogP
3.27
TPSA
0
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
0
Heavy atoms
11
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
1
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
52.39

Supplementary Information

InChIKey: GNXBFFHXJDZGEK-UHFFFAOYSA-N
Синонимы
4-tert-Butylthiophenol4-tert-ButylbenzenethiolBenzenethiol, p-tert-butyl-p-t-ButylthiophenolNSC 26804DTXSID90481964-(1,1-Dimethylethyl)BenzenethiolEINECS 219-255-6NSC 57807BRN 0606476AI3-26176DTXCID40281714-06-00-03316 (Beilstein Handbook Reference)RefChem:100512219-255-6GNXBFFHXJDZGEK-UHFFFAOYSA-N2396-68-1p-tert-Butylthiophenolp-tert-Butylbenzenethiol4-(tert-Butyl)benzenethiolBenzenethiol, 4-(1,1-dimethylethyl)-p-tert-Butylphenyl mercaptanBenzenethiol, p-tert-butylthio-4-(tert-butyl)thiophenol4-tert-butylbenzene-1-thiolMFCD000220674-tert-butyl-benzenethiol7ME8YQH3TGNSC-26804NSC-57807
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