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17912-27-5 | 2H-Thiopyran, tetrahydro-2-pentyl-
CAS No: 17912-27-5 Catalog No: AG0026TT MDL No:
Product Description
Catalog Number:
AG0026TT
Chemical Name:
2H-Thiopyran, tetrahydro-2-pentyl-
CAS Number:
17912-27-5
Molecular Formula:
C10H20S
Molecular Weight:
172.3308
IUPAC Name:
2-pentylthiane
InChI:
InChI=1S/C10H20S/c1-2-3-4-7-10-8-5-6-9-11-10/h10H,2-9H2,1H3
InChI Key:
MFQWJPPVAUXXDS-UHFFFAOYSA-N
SMILES:
CCCCCC1CCCCS1
Properties
Complexity:
90.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
172.129g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
172.33g/mol
Monoisotopic Mass:
172.129g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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