Home Other Building Blocks 2-[(oxolan-2-ylmethyl)sulfanyl]propanoic acid

2-[(oxolan-2-ylmethyl)sulfanyl]propanoic acid

CAS No.:
1016754-61-2
Catalog Number:
AG019WM1
Molecular Formula:
C8H14O3S
Molecular Weight:
190.2600
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Product Description
Catalog Number:
AG019WM1
Chemical Name:
2-[(oxolan-2-ylmethyl)sulfanyl]propanoic acid
CAS Number:
1016754-61-2
Molecular Formula:
C8H14O3S
Molecular Weight:
190.2600
MDL Number:
MFCD09929367
IUPAC Name:
2-(oxolan-2-ylmethylsulfanyl)propanoic acid
InChI:
InChI=1S/C8H14O3S/c1-6(8(9)10)12-5-7-3-2-4-11-7/h6-7H,2-5H2,1H3,(H,9,10)
InChI Key:
OHEUPOGKVVYHST-UHFFFAOYSA-N
SMILES:
OC(=O)C(SCC1CCCO1)C
Properties
Complexity:
160  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.066g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
190.257g/mol
Monoisotopic Mass:
190.066g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
71.8A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties