Home Aldehydes 3-methylthietane-3-carbaldehyde

3-methylthietane-3-carbaldehyde

CAS No.:
1781044-19-6
Catalog Number:
AG01EMBG
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01EMBG
Chemical Name:
3-methylthietane-3-carbaldehyde
CAS Number:
1781044-19-6
Molecular Formula:
C5H8OS
Molecular Weight:
116.1814
MDL Number:
MFCD31668778
IUPAC Name:
3-methylthietane-3-carbaldehyde
InChI:
InChI=1S/C5H8OS/c1-5(2-6)3-7-4-5/h2H,3-4H2,1H3
InChI Key:
WTGDTEZZCUWFSZ-UHFFFAOYSA-N
SMILES:
O=CC1(C)CSC1
Properties
Complexity:
86.1  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
116.03g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
116.178g/mol
Monoisotopic Mass:
116.03g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Properties