Home Other Building Blocks 5-(1,2-dithiolan-4-yl)pentanoic acid

5-(1,2-dithiolan-4-yl)pentanoic acid

CAS No.:
5694-54-2
Catalog Number:
AG01B1WZ
Molecular Formula:
C8H14O2S2
Molecular Weight:
206.3256
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Product Description
Catalog Number:
AG01B1WZ
Chemical Name:
5-(1,2-dithiolan-4-yl)pentanoic acid
CAS Number:
5694-54-2
Molecular Formula:
C8H14O2S2
Molecular Weight:
206.3256
MDL Number:
MFCD24480236
IUPAC Name:
5-(dithiolan-4-yl)pentanoic acid
InChI:
InChI=1S/C8H14O2S2/c9-8(10)4-2-1-3-7-5-11-12-6-7/h7H,1-6H2,(H,9,10)
InChI Key:
YGXKWXGMWPKPQK-UHFFFAOYSA-N
SMILES:
OC(=O)CCCCC1CSSC1
Properties
Complexity:
144  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.044g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
206.318g/mol
Monoisotopic Mass:
206.044g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties