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Home Other Building Blocks 2-methylpropane-2-sulfinic acid

2-methylpropane-2-sulfinic acid

CAS No.:
29099-08-9
Catalog Number:
AG01BVNJ
Molecular Formula:
C4H10O2S
Molecular Weight:
122.1860
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Product Description
Catalog Number:
AG01BVNJ
Chemical Name:
2-methylpropane-2-sulfinic acid
CAS Number:
29099-08-9
Molecular Formula:
C4H10O2S
Molecular Weight:
122.1860
MDL Number:
MFCD28360732
IUPAC Name:
2-methylpropane-2-sulfinic acid
InChI:
InChI=1S/C4H10O2S/c1-4(2,3)7(5)6/h1-3H3,(H,5,6)
InChI Key:
DUWLIIPTRMQEAP-UHFFFAOYSA-N
SMILES:
CC(S(=O)O)(C)C
NSC Number:
227866
Properties
Complexity:
82.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
122.04g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
122.182g/mol
Monoisotopic Mass:
122.04g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
56.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4  
Literature
Title Journal
Sequential ortho-lithiations; the sulfoxide group as a relay to enable meta-substitution. Organic & biomolecular chemistry 20080407
Palladium-catalyzed enantioselective 1,3-rearrangement of racemic allylic sulfinates: asymmetric synthesis of allylic sulfones and kinetic resolution of an allylic sulfinate. The Journal of organic chemistry 20040416
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