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201991-54-0 | 2H-Thiopyran-2-one, tetrahydro-6-pentyl-
CAS No: 201991-54-0 Catalog No: AG0027Z4 MDL No:
Product Description
Catalog Number:
AG0027Z4
Chemical Name:
2H-Thiopyran-2-one, tetrahydro-6-pentyl-
CAS Number:
201991-54-0
Molecular Formula:
C10H18OS
Molecular Weight:
186.3143
IUPAC Name:
6-pentylthian-2-one
InChI:
InChI=1S/C10H18OS/c1-2-3-4-6-9-7-5-8-10(11)12-9/h9H,2-8H2,1H3
InChI Key:
PXRUYLRRFJEVKM-UHFFFAOYSA-N
SMILES:
CCCCCC1CCCC(=O)S1
Properties
Complexity:
145
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.108g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.313g/mol
Monoisotopic Mass:
186.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
42.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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