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2-Butanethiol

CAS No.:
513-53-1
Catalog Number:
AG003GT7
Molecular Formula:
C4H10S
Molecular Weight:
90.1872
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Product Description
Catalog Number:
AG003GT7
Chemical Name:
2-Butanethiol
CAS Number:
513-53-1
Molecular Formula:
C4H10S
Molecular Weight:
90.1872
MDL Number:
MFCD00004865
IUPAC Name:
butane-2-thiol
InChI:
InChI=1S/C4H10S/c1-3-4(2)5/h4-5H,3H2,1-2H3
InChI Key:
LOCHFZBWPCLPAN-UHFFFAOYSA-N
SMILES:
CCC(S)C
EC Number:
208-165-2
NSC Number:
78417
UN Number:
2347
Properties
Complexity:
19.6  
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:
1  
Topological Polar Surface Area:
1A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Removal of mercaptans from a gas stream using continuous adsorption-regeneration. Water science and technology : a journal of the International Association on Water Pollution Research 20120101
Fluorescent labeling of human albumin using the new aromatic dialdehyde labels and the study of innerfilter effect. Journal of pharmacy & bioallied sciences 20100101
Evaluation of 13-week inhalation toxicity of sec-butanethiol in rats. Food and chemical toxicology : an international journal published for the British Industrial Biological Research Association 20090901
A Phase I pharmacokinetic and pharmacodynamic study of PX-12, a novel inhibitor of thioredoxin-1, in patients with advanced solid tumors. Clinical cancer research : an official journal of the American Association for Cancer Research 20070401
N-thiolated beta-lactams: a new family of anti-Bacillus agents. Bioorganic & medicinal chemistry letters 20060415
Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene. The journal of physical chemistry. B 20051222
Novel modified adenosine 5'-triphosphate analogues pharmacologically characterized in human embryonic kidney 293 cells highly expressing rat brain P2Y(1) receptor: Biotinylated analogue potentially suitable for specific P2Y(1) receptor isolation. Biochemical pharmacology 20010515
Investigation of the storage stability of selected volatile sulfur compounds in different sampling containers. Journal of chromatography. A 20010511
Properties