Home Other Building Blocks 1-(thian-4-yl)ethan-1-one

1-(thian-4-yl)ethan-1-one

CAS No.:
32358-89-7
Catalog Number:
AG01AFF9
Molecular Formula:
C7H12OS
Molecular Weight:
144.2346
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01AFF9
Chemical Name:
1-(thian-4-yl)ethan-1-one
CAS Number:
32358-89-7
Molecular Formula:
C7H12OS
Molecular Weight:
144.2346
MDL Number:
MFCD24712022
IUPAC Name:
1-(thian-4-yl)ethanone
InChI:
InChI=1S/C7H12OS/c1-6(8)7-2-4-9-5-3-7/h7H,2-5H2,1H3
InChI Key:
DTDVABNLQCBXLH-UHFFFAOYSA-N
SMILES:
CC(=O)C1CCSCC1
Properties
Complexity:
106  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
144.061g/mol
Formal Charge:
0
Heavy Atom Count:
9  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
144.232g/mol
Monoisotopic Mass:
144.061g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties