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

1,3-dithiolane-2-carboxylic acid

CAS No.:
5616-65-9
Catalog Number:
AG00DVQ2
Molecular Formula:
C4H6O2S2
Molecular Weight:
150.2192
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Product Description
Catalog Number:
AG00DVQ2
Chemical Name:
1,3-dithiolane-2-carboxylic acid
CAS Number:
5616-65-9
Molecular Formula:
C4H6O2S2
Molecular Weight:
150.2192
MDL Number:
MFCD16876613
IUPAC Name:
1,3-dithiolane-2-carboxylic acid
InChI:
InChI=1S/C4H6O2S2/c5-3(6)4-7-1-2-8-4/h4H,1-2H2,(H,5,6)
InChI Key:
DSOVOUOPKYLGID-UHFFFAOYSA-N
SMILES:
OC(=O)C1SCCS1
Properties
Complexity:
98.2  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
149.981g/mol
Formal Charge:
0
Heavy Atom Count:
8  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
150.21g/mol
Monoisotopic Mass:
149.981g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
87.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties