Home Carboxys 2-[(carboxymethyl)sulfanyl]-2-methylpropanoic acid

2-[(carboxymethyl)sulfanyl]-2-methylpropanoic acid

CAS No.:
13330-92-2
Catalog Number:
AG01B8SF
Molecular Formula:
C6H10O4S
Molecular Weight:
178.2062
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Product Description
Catalog Number:
AG01B8SF
Chemical Name:
2-[(carboxymethyl)sulfanyl]-2-methylpropanoic acid
CAS Number:
13330-92-2
Molecular Formula:
C6H10O4S
Molecular Weight:
178.2062
MDL Number:
MFCD19259553
IUPAC Name:
2-(carboxymethylsulfanyl)-2-methylpropanoic acid
InChI:
InChI=1S/C6H10O4S/c1-6(2,5(9)10)11-3-4(7)8/h3H2,1-2H3,(H,7,8)(H,9,10)
InChI Key:
YPTVRBPJTHXHRA-UHFFFAOYSA-N
SMILES:
OC(=O)CSC(C(=O)O)(C)C
Properties
Complexity:
175  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.03g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
178.202g/mol
Monoisotopic Mass:
178.03g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
99.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties