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tert-Butyl mercaptan

CAS No.:
75-66-1
Catalog Number:
AG0035N8
Molecular Formula:
C4H10S
Molecular Weight:
90.1872
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Product Description
Catalog Number:
AG0035N8
Chemical Name:
tert-Butyl mercaptan
CAS Number:
75-66-1
Molecular Formula:
C4H10S
Molecular Weight:
90.1872
MDL Number:
MFCD00004857
IUPAC Name:
2-methylpropane-2-thiol
InChI:
InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3
InChI Key:
WMXCDAVJEZZYLT-UHFFFAOYSA-N
SMILES:
CC(S)(C)C
EC Number:
200-890-2
UNII:
489PW92WIV
NSC Number:
229569
RTECS Number:
TZ7660000
UN Number:
2347
Properties
Complexity:
25.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
90.05g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
90.184g/mol
Monoisotopic Mass:
90.05g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Literature
Title Journal
Trimethoxyphenylthio as a highly labile replacement for tert-butylthio cysteine protection in Fmoc solid phase synthesis. Organic letters 20121102
Handling a tricycle: orthogonal versus random oxidation of the tricyclic inhibitor cystine knotted peptide gurmarin. Peptides 20120901
Synthesis of oligonucleotides carrying thiol groups using a simple reagent derived from threoninol. Molecules (Basel, Switzerland) 20120824
Improving open circuit potential in hybrid P3HT:CdSe bulk heterojunction solar cells via colloidal tert-butylthiol ligand exchange. ACS nano 20120522
Ligand exchange on colloidal CdSe nanocrystals using thermally labile tert-butylthiol for improved photocurrent in nanocrystal films. Journal of the American Chemical Society 20120118
Fmoc-based synthesis of peptide thioesters for native chemical ligation employing a tert-butyl thiol linker. Organic letters 20110401
Rate constants for cyclizations of α-hydroxy radical clocks. Organic & biomolecular chemistry 20110121
Infrared spectra of a species of potential prebiotic and astrochemical interest: cyanoethenethiol (NC-CH=CH-SH). The journal of physical chemistry. A 20100909
Solid-phase synthesis of oligodeoxynucleotides containing N4-[2-(t-butyldisulfanyl)ethyl]-5-methylcytosine moieties. Molecules (Basel, Switzerland) 20100818
Ultrafast intramolecular charge transfer in tetrapyrazinoporphyrazines controls the quantum yields of fluorescence and singlet oxygen. Physical chemistry chemical physics : PCCP 20100320
Photoelectron spectroscopy and thermochemistry of the peroxyacetate anion. European journal of mass spectrometry (Chichester, England) 20100101
Facile C-S, S-H, and S-S bond cleavage using a nickel(0) NHC complex. Dalton transactions (Cambridge, England : 2003) 20090921
Planar chiral asymmetric naphthalenediimide cyclophanes: synthesis, characterization and tunable FRET properties. Organic & biomolecular chemistry 20090821
SH-stretching vibrational spectra of ethanethiol and tert-butylthiol. The journal of physical chemistry. A 20090702
Oxidative folding of synthetic polypeptides S-protected as tert-butylthio derivatives. Journal of peptide science : an official publication of the European Peptide Society 20081201
Conformationally specific vacuum ultraviolet mass-analyzed threshold ionization spectroscopy of alkanethiols: structure and ionization of conformational isomers of ethanethiol, isopropanethiol, 1-propanethiol, tert-butanethiol, and 1-butanethiol. The journal of physical chemistry. A 20080807
Targeting the cerebrovascular large neutral amino acid transporter (LAT1) isoform using a novel disulfide-based brain drug delivery system. Drug delivery 20070101
Mechanistic study on adsorptive removal of tert-butanethiol on Ag-Y zeolite under ambient conditions. The journal of physical chemistry. B 20061116
Synthesis and properties of an anthraquinone-based redox switch for molecular electronics. Organic letters 20060525
Surface microscopic structure and electrochemical rectification of a branched alkanethiol self-assembled monolayer. The journal of physical chemistry. B 20060126
Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene. The journal of physical chemistry. B 20051222
Highly selective palladium catalyzed kinetic resolution and enantioselective substitution of racemic allylic carbonates with sulfur nucleophiles: asymmetric synthesis of allylic sulfides, allylic sulfones, and allylic alcohols. Chemistry (Weinheim an der Bergstrasse, Germany) 20030905
Properties