Home Other Building Blocks methyl 3-(acetylsulfanyl)-2-methylbutanoate

methyl 3-(acetylsulfanyl)-2-methylbutanoate

CAS No.:
1221397-61-0
Catalog Number:
AG01ACFI
Molecular Formula:
C8H14O3S
Molecular Weight:
190.2600
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Product Description
Catalog Number:
AG01ACFI
Chemical Name:
methyl 3-(acetylsulfanyl)-2-methylbutanoate
CAS Number:
1221397-61-0
Molecular Formula:
C8H14O3S
Molecular Weight:
190.2600
MDL Number:
MFCD26407973
IUPAC Name:
methyl 3-acetylsulfanyl-2-methylbutanoate
InChI:
InChI=1S/C8H14O3S/c1-5(8(10)11-4)6(2)12-7(3)9/h5-6H,1-4H3
InChI Key:
PNBXMTMQTHEBPK-UHFFFAOYSA-N
SMILES:
COC(=O)C(C(SC(=O)C)C)C
Properties
Complexity:
179  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
190.066g/mol
Formal Charge:
0
Heavy Atom Count:
12  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
190.257g/mol
Monoisotopic Mass:
190.066g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
68.7A^2
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties