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144425-54-7 | 3-Buten-2-one, 4-[(1,1-dimethylethyl)thio]-4-hydroxy-
CAS No: 144425-54-7 Catalog No: AG001JHH MDL No:
Product Description
Catalog Number:
AG001JHH
Chemical Name:
3-Buten-2-one, 4-[(1,1-dimethylethyl)thio]-4-hydroxy-
CAS Number:
144425-54-7
Molecular Formula:
C8H14O2S
Molecular Weight:
174.2606
IUPAC Name:
S-tert-butyl 3-hydroxybut-2-enethioate
InChI:
InChI=1S/C8H14O2S/c1-6(9)5-7(10)11-8(2,3)4/h5,9H,1-4H3
InChI Key:
WQTNWKIPCKFULT-UHFFFAOYSA-N
SMILES:
CC(=O)C=C(SC(C)(C)C)O
Properties
Complexity:
177
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:
1
Isotope Atom Count:
0
Molecular Weight:
174.258g/mol
Monoisotopic Mass:
174.071g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.5
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