Home Halogens 3-[(3-chloropropyl)sulfanyl]propanoic acid

3-[(3-chloropropyl)sulfanyl]propanoic acid

CAS No.:
16496-88-1
Catalog Number:
AG01BGO9
Molecular Formula:
C6H11ClO2S
Molecular Weight:
182.6683
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Product Description
Catalog Number:
AG01BGO9
Chemical Name:
3-[(3-chloropropyl)sulfanyl]propanoic acid
CAS Number:
16496-88-1
Molecular Formula:
C6H11ClO2S
Molecular Weight:
182.6683
MDL Number:
MFCD20623125
IUPAC Name:
3-(3-chloropropylsulfanyl)propanoic acid
InChI:
InChI=1S/C6H11ClO2S/c7-3-1-4-10-5-2-6(8)9/h1-5H2,(H,8,9)
InChI Key:
UCCXYDPCEOPAQF-UHFFFAOYSA-N
SMILES:
ClCCCSCCC(=O)O
Properties
Complexity:
97.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
182.017g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
182.662g/mol
Monoisotopic Mass:
182.017g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties