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201991-50-6 | 2(3H)-Thiophenone, 5-ethyldihydro-
CAS No: 201991-50-6 Catalog No: AG0027Z5 MDL No:
Product Description
Catalog Number:
AG0027Z5
Chemical Name:
2(3H)-Thiophenone, 5-ethyldihydro-
CAS Number:
201991-50-6
Molecular Formula:
C6H10OS
Molecular Weight:
130.2080
IUPAC Name:
5-ethylthiolan-2-one
InChI:
InChI=1S/C6H10OS/c1-2-5-3-4-6(7)8-5/h5H,2-4H2,1H3
InChI Key:
YPNRVDPNXSBRDG-UHFFFAOYSA-N
SMILES:
CCC1CCC(=O)S1
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
130.045g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
130.205g/mol
Monoisotopic Mass:
130.045g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
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