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13882-12-7

13882-12-7 | Methanesulfinothioic acid, S-methyl ester (9CI)

CAS No: 13882-12-7 Catalog No: AG0019NG MDL No:MFCD01754729

Product Description

Catalog Number:
AG0019NG
Chemical Name:
Methanesulfinothioic acid, S-methyl ester (9CI)
CAS Number:
13882-12-7
Molecular Formula:
C2H6OS2
Molecular Weight:
110.1984
MDL Number:
MFCD01754729
IUPAC Name:
methylsulfinylsulfanylmethane
InChI:
InChI=1S/C2H6OS2/c1-4-5(2)3/h1-2H3
InChI Key:
RRGUMJYEQDVBFP-UHFFFAOYSA-N
SMILES:
CSS(=O)C
NSC Number:
23129

Properties

Complexity:
42.9  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
109.986g/mol
Formal Charge:
0
Heavy Atom Count:
5  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
110.189g/mol
Monoisotopic Mass:
109.986g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
61.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.1  

Literature

Title Journal
Thiosulfinates from Allium tuberosum L. induce apoptosis via caspase-dependent and -independent pathways in PC-3 human prostate cancer cells. Bioorganic & medicinal chemistry letters 20080101
Inhibitors arrest myofibrillogenesis in skeletal muscle cells at early stages of assembly. Cell motility and the cytoskeleton 20040901
Modulation of the reactivity of the essential cysteine residue of betaine aldehyde dehydrogenase from Pseudomonas aeruginosa. The Biochemical journal 20020201
Antibacterial activity of S-methyl methanethiosulfinate and S-methyl 2-propene-1-thiosulfinate from Chinese chive toward Escherichia coli O157:H7. Bioscience, biotechnology, and biochemistry 20010401

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