Home Other Building Blocks 5-(propan-2-yl)thiolan-3-one

5-(propan-2-yl)thiolan-3-one

CAS No.:
75782-71-7
Catalog Number:
AG01BDJQ
Molecular Formula:
C7H12OS
Molecular Weight:
144.2346
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Product Description
Catalog Number:
AG01BDJQ
Chemical Name:
5-(propan-2-yl)thiolan-3-one
CAS Number:
75782-71-7
Molecular Formula:
C7H12OS
Molecular Weight:
144.2346
MDL Number:
MFCD24704048
IUPAC Name:
5-propan-2-ylthiolan-3-one
InChI:
InChI=1S/C7H12OS/c1-5(2)7-3-6(8)4-9-7/h5,7H,3-4H2,1-2H3
InChI Key:
ZMMJGZLCIJRYDL-UHFFFAOYSA-N
SMILES:
CC(C1SCC(=O)C1)C
Properties
Complexity:
120  
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:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties