Home Other Building Blocks methyl 4-(methyldisulfanyl)butanoate

methyl 4-(methyldisulfanyl)butanoate

CAS No.:
2137584-82-6
Catalog Number:
AG01EIOL
Molecular Formula:
C6H12O2S2
Molecular Weight:
180.2883
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Product Description
Catalog Number:
AG01EIOL
Chemical Name:
methyl 4-(methyldisulfanyl)butanoate
CAS Number:
2137584-82-6
Molecular Formula:
C6H12O2S2
Molecular Weight:
180.2883
MDL Number:
MFCD31457152
IUPAC Name:
methyl 4-(methyldisulfanyl)butanoate
InChI:
InChI=1S/C6H12O2S2/c1-8-6(7)4-3-5-10-9-2/h3-5H2,1-2H3
InChI Key:
ZEWCFFAAUKKAJN-UHFFFAOYSA-N
SMILES:
CSSCCCC(=O)OC
Properties
Complexity:
95.7  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.028g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
180.28g/mol
Monoisotopic Mass:
180.028g/mol
Rotatable Bond Count:
6  
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  
Properties