Home Other Building Blocks methyl 3-[(3-methoxy-3-oxopropyl)sulfanyl]butanoate

methyl 3-[(3-methoxy-3-oxopropyl)sulfanyl]butanoate

CAS No.:
60743-24-0
Catalog Number:
AG01AK9Z
Molecular Formula:
C9H16O4S
Molecular Weight:
220.2859
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Product Description
Catalog Number:
AG01AK9Z
Chemical Name:
methyl 3-[(3-methoxy-3-oxopropyl)sulfanyl]butanoate
CAS Number:
60743-24-0
Molecular Formula:
C9H16O4S
Molecular Weight:
220.2859
MDL Number:
MFCD12092137
IUPAC Name:
methyl 3-(3-methoxy-3-oxopropyl)sulfanylbutanoate
InChI:
InChI=1S/C9H16O4S/c1-7(6-9(11)13-3)14-5-4-8(10)12-2/h7H,4-6H2,1-3H3
InChI Key:
MMMRRMBKJFABNN-UHFFFAOYSA-N
SMILES:
COC(=O)CCSC(CC(=O)OC)C
Properties
Complexity:
193  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.077g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.283g/mol
Monoisotopic Mass:
220.077g/mol
Rotatable Bond Count:
8  
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties