Home Aldehydes 4-(methylthio)butyraldehyde

4-(methylthio)butyraldehyde

CAS No.:
42919-64-2
Catalog Number:
AG00D7D2
Molecular Formula:
C5H10OS
Molecular Weight:
118.1973
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Product Description
Catalog Number:
AG00D7D2
Chemical Name:
4-(methylthio)butyraldehyde
CAS Number:
42919-64-2
Molecular Formula:
C5H10OS
Molecular Weight:
118.1973
IUPAC Name:
4-methylsulfanylbutanal
InChI:
InChI=1S/C5H10OS/c1-7-5-3-2-4-6/h4H,2-3,5H2,1H3
InChI Key:
RZBUXNXJKZHGLL-UHFFFAOYSA-N
SMILES:
CSCCCC=O
EC Number:
256-001-3
UNII:
665I2LWS8I
FEMA Number:
3414
Properties
Complexity:
45.3  
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:
4  
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7  
Properties