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16315-52-9 | 2H-Pyran, 2-(butylthio)tetrahydro-
CAS No: 16315-52-9 Catalog No: AG001TTO MDL No:
Product Description
Catalog Number:
AG001TTO
Chemical Name:
2H-Pyran, 2-(butylthio)tetrahydro-
CAS Number:
16315-52-9
Molecular Formula:
C9H18OS
Molecular Weight:
174.3036
IUPAC Name:
2-butylsulfanyloxane
InChI:
InChI=1S/C9H18OS/c1-2-3-8-11-9-6-4-5-7-10-9/h9H,2-8H2,1H3
InChI Key:
XOARRFYEIGERRS-UHFFFAOYSA-N
SMILES:
CCCCSC1CCCCO1
Properties
Complexity:
95.6
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.108g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.302g/mol
Monoisotopic Mass:
174.108g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
34.5A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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