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16349-04-5 | Propane, 1,1'-[ethylidenebis(thio)]bis-
CAS No: 16349-04-5 Catalog No: AG001U5P MDL No:
Product Description
Catalog Number:
AG001U5P
Chemical Name:
Propane, 1,1'-[ethylidenebis(thio)]bis-
CAS Number:
16349-04-5
Molecular Formula:
C8H18S2
Molecular Weight:
178.3585
IUPAC Name:
1-(1-propylsulfanylethylsulfanyl)propane
InChI:
InChI=1S/C8H18S2/c1-4-6-9-8(3)10-7-5-2/h8H,4-7H2,1-3H3
InChI Key:
WZELPMGGCICAPW-UHFFFAOYSA-N
SMILES:
CCCSC(SCCC)C
Properties
Complexity:
56.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.085g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.352g/mol
Monoisotopic Mass:
178.085g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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