Home Other Building Blocks 2-[(acetylsulfanyl)methyl]butanedioic acid

2-[(acetylsulfanyl)methyl]butanedioic acid

CAS No.:
192879-20-2
Catalog Number:
AG019ZJ5
Molecular Formula:
C7H10O5S
Molecular Weight:
206.2163
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Product Description
Catalog Number:
AG019ZJ5
Chemical Name:
2-[(acetylsulfanyl)methyl]butanedioic acid
CAS Number:
192879-20-2
Molecular Formula:
C7H10O5S
Molecular Weight:
206.2163
MDL Number:
MFCD22369973
IUPAC Name:
2-(acetylsulfanylmethyl)butanedioic acid
InChI:
InChI=1S/C7H10O5S/c1-4(8)13-3-5(7(11)12)2-6(9)10/h5H,2-3H2,1H3,(H,9,10)(H,11,12)
InChI Key:
XFCUZVSVGRNFOR-UHFFFAOYSA-N
SMILES:
CC(=O)SCC(C(=O)O)CC(=O)O
Properties
Complexity:
225  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.025g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
206.212g/mol
Monoisotopic Mass:
206.025g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
117A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3  
Properties