Home Other Building Blocks Butanal, 3-(methylthio)-

Butanal, 3-(methylthio)-

CAS No.:
16630-52-7
Catalog Number:
AG001WMA
Molecular Formula:
C5H10OS
Molecular Weight:
118.1973
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG001WMA
Chemical Name:
Butanal, 3-(methylthio)-
CAS Number:
16630-52-7
Molecular Formula:
C5H10OS
Molecular Weight:
118.1973
MDL Number:
MFCD00036622
IUPAC Name:
3-methylsulfanylbutanal
InChI:
InChI=1S/C5H10OS/c1-5(7-2)3-4-6/h4-5H,3H2,1-2H3
InChI Key:
NCBDFIPMWRKPDU-UHFFFAOYSA-N
SMILES:
CC(SC)CC=O
EC Number:
240-678-7
FEMA Number:
3374
Properties
Complexity:
54  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
118.045g/mol
Formal Charge:
0
Heavy Atom Count:
7  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
118.194g/mol
Monoisotopic Mass:
118.045g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties