Home Other Building Blocks 2-(methylsulfanyl)butanoic acid

2-(methylsulfanyl)butanoic acid

CAS No.:
874525-90-3
Catalog Number:
AG01A1RD
Molecular Formula:
C5H10O2S
Molecular Weight:
134.1967
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Product Description
Catalog Number:
AG01A1RD
Chemical Name:
2-(methylsulfanyl)butanoic acid
CAS Number:
874525-90-3
Molecular Formula:
C5H10O2S
Molecular Weight:
134.1967
MDL Number:
MFCD12823560
IUPAC Name:
2-methylsulfanylbutanoic acid
InChI:
InChI=1S/C5H10O2S/c1-3-4(8-2)5(6)7/h4H,3H2,1-2H3,(H,6,7)
InChI Key:
IKMGEAMKZUENRW-UHFFFAOYSA-N
SMILES:
CCC(C(=O)O)SC
Properties
Complexity:
82.5  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
134.04g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
134.193g/mol
Monoisotopic Mass:
134.04g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Properties