Home Other Building Blocks hexahydro-2H-cyclopenta[b][1,4]dithiin-5-one

hexahydro-2H-cyclopenta[b][1,4]dithiin-5-one

CAS No.:
1432679-71-4
Catalog Number:
AG01A2NH
Molecular Formula:
C7H10OS2
Molecular Weight:
174.2837
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01A2NH
Chemical Name:
hexahydro-2H-cyclopenta[b][1,4]dithiin-5-one
CAS Number:
1432679-71-4
Molecular Formula:
C7H10OS2
Molecular Weight:
174.2837
MDL Number:
MFCD23701778
IUPAC Name:
2,3,4a,6,7,7a-hexahydrocyclopenta[b][1,4]dithiin-5-one
InChI:
InChI=1S/C7H10OS2/c8-5-1-2-6-7(5)10-4-3-9-6/h6-7H,1-4H2
InChI Key:
RTWLIAGBLSHCBR-UHFFFAOYSA-N
SMILES:
O=C1CCC2C1SCCS2
Properties
Complexity:
158  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.017g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.276g/mol
Monoisotopic Mass:
174.017g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.3  
Properties