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16900-07-5 | Octane, 1-(butylthio)-
CAS No: 16900-07-5 Catalog No: AG001YFS MDL No:
Product Description
Catalog Number:
AG001YFS
Chemical Name:
Octane, 1-(butylthio)-
CAS Number:
16900-07-5
Molecular Formula:
C12H26S
Molecular Weight:
202.3998
IUPAC Name:
1-butylsulfanyloctane
InChI:
InChI=1S/C12H26S/c1-3-5-7-8-9-10-12-13-11-6-4-2/h3-12H2,1-2H3
InChI Key:
UNIAPWPIAGJFDG-UHFFFAOYSA-N
SMILES:
CCCCCCCCSCCCC
Properties
Complexity:
81.2
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
202.176g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
202.4g/mol
Monoisotopic Mass:
202.176g/mol
Rotatable Bond Count:
10
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6
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