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15925-47-0 | Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester
CAS No: 15925-47-0 Catalog No: AG001QKO MDL No:MFCD00013237
Product Description
Catalog Number:
AG001QKO
Chemical Name:
Butanethioic acid, 3-oxo-, S-(1,1-dimethylethyl) ester
CAS Number:
15925-47-0
Molecular Formula:
C8H14O2S
Molecular Weight:
174.2606
MDL Number:
MFCD00013237
IUPAC Name:
S-tert-butyl 3-oxobutanethioate
InChI:
InChI=1S/C8H14O2S/c1-6(9)5-7(10)11-8(2,3)4/h5H2,1-4H3
InChI Key:
FXOMETKMHQLOHH-UHFFFAOYSA-N
SMILES:
CC(=O)CC(=O)SC(C)(C)C
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.071g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.258g/mol
Monoisotopic Mass:
174.071g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
59.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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