Home Other Building Blocks 4-(methylsulfanyl)pentanoic acid

4-(methylsulfanyl)pentanoic acid

CAS No.:
75974-59-3
Catalog Number:
AG01A4J9
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
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Product Description
Catalog Number:
AG01A4J9
Chemical Name:
4-(methylsulfanyl)pentanoic acid
CAS Number:
75974-59-3
Molecular Formula:
C6H12O2S
Molecular Weight:
148.2233
MDL Number:
MFCD16693341
IUPAC Name:
4-methylsulfanylpentanoic acid
InChI:
InChI=1S/C6H12O2S/c1-5(9-2)3-4-6(7)8/h5H,3-4H2,1-2H3,(H,7,8)
InChI Key:
XFPKXJGAGPLNNE-UHFFFAOYSA-N
SMILES:
CC(SC)CCC(=O)O
Properties
Complexity:
93.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.056g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
148.22g/mol
Monoisotopic Mass:
148.056g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  
Properties