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100991-62-6 | 1-Propanethione, 1-(2-furanyl)-2,2-dimethyl-
CAS No: 100991-62-6 Catalog No: AG0003DY MDL No:
Product Description
Catalog Number:
AG0003DY
Chemical Name:
1-Propanethione, 1-(2-furanyl)-2,2-dimethyl-
CAS Number:
100991-62-6
Molecular Formula:
C9H12OS
Molecular Weight:
168.2560
IUPAC Name:
1-(furan-2-yl)-2,2-dimethylpropane-1-thione
InChI:
InChI=1S/C9H12OS/c1-9(2,3)8(11)7-5-4-6-10-7/h4-6H,1-3H3
InChI Key:
UCAVSGIYWFXZMO-UHFFFAOYSA-N
SMILES:
S=C(C(C)(C)C)c1ccco1
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
168.061g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
168.254g/mol
Monoisotopic Mass:
168.061g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
45.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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