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Isobutylmercaptan

CAS No.:
513-44-0
Catalog Number:
AG003R38
Molecular Formula:
C4H10S
Molecular Weight:
90.1872
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Product Description
Catalog Number:
AG003R38
Chemical Name:
Isobutylmercaptan
CAS Number:
513-44-0
Molecular Formula:
C4H10S
Molecular Weight:
90.1872
MDL Number:
MFCD00004882
IUPAC Name:
2-methylpropane-1-thiol
InChI:
InChI=1S/C4H10S/c1-4(2)3-5/h4-5H,3H2,1-2H3
InChI Key:
BDFAOUQQXJIZDG-UHFFFAOYSA-N
SMILES:
SCC(C)C
EC Number:
208-162-6
UNII:
9H070UFP2X
FEMA Number:
3874
Properties
Complexity:
17.6  
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:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Literature
Title Journal
Targeting the cerebrovascular large neutral amino acid transporter (LAT1) isoform using a novel disulfide-based brain drug delivery system. Drug delivery 20070101
Transferable potentials for phase equilibria. 8. United-atom description for thiols, sulfides, disulfides, and thiophene. The journal of physical chemistry. B 20051222
On-column derivatization-capillary electrochromatography with o-phthalaldehyde/alkylthiol for assay of biogenic amines. Journal of chromatography. A 20040730
The use of computational QSAR analysis in the toxicological evaluation of a series of 2-pyridylcarboxamidrazone candidate anti-tuberculosis compounds. Environmental toxicology and pharmacology 20030601
Fast, efficient and selective deprotection of the tert-butoxycarbonyl (Boc) group using HCl/dioxane (4 m). The journal of peptide research : official journal of the American Peptide Society 20011001
Properties