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Home > Other Building Blocks > 138747-41-8
138747-41-8 | 2-Thietanone, 3-hydroxy-3,4,4-trimethyl-
CAS No: 138747-41-8 Catalog No: AG0019GY MDL No:
Product Description
Catalog Number:
AG0019GY
Chemical Name:
2-Thietanone, 3-hydroxy-3,4,4-trimethyl-
CAS Number:
138747-41-8
Molecular Formula:
C6H10O2S
Molecular Weight:
146.2074
IUPAC Name:
3-hydroxy-3,4,4-trimethylthietan-2-one
InChI:
InChI=1S/C6H10O2S/c1-5(2)6(3,8)4(7)9-5/h8H,1-3H3
InChI Key:
SJSZAONEKYMARR-UHFFFAOYSA-N
SMILES:
O=C1SC(C1(C)O)(C)C
Properties
Complexity:
164
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.04g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
146.204g/mol
Monoisotopic Mass:
146.04g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
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