Home Carboxys 1,2-Dithiane-3-carboxylic acid

1,2-Dithiane-3-carboxylic acid

CAS No.:
14091-98-6
Catalog Number:
AG00AGDS
Molecular Formula:
C5H8O2S2
Molecular Weight:
164.2458
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG00AGDS
Chemical Name:
1,2-Dithiane-3-carboxylic acid
CAS Number:
14091-98-6
Molecular Formula:
C5H8O2S2
Molecular Weight:
164.2458
MDL Number:
MFCD20640568
IUPAC Name:
dithiane-3-carboxylic acid
InChI:
InChI=1S/C5H8O2S2/c6-5(7)4-2-1-3-8-9-4/h4H,1-3H2,(H,6,7)
InChI Key:
JYWJCVNSTMEANR-UHFFFAOYSA-N
SMILES:
OC(=O)C1CCCSS1
Properties
Complexity:
116  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
163.997g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.237g/mol
Monoisotopic Mass:
163.997g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties