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115412-57-2 | Propane, 1-chloro-3-(propylthio)-
CAS No: 115412-57-2 Catalog No: AG000FY3 MDL No:
Product Description
Catalog Number:
AG000FY3
Chemical Name:
Propane, 1-chloro-3-(propylthio)-
CAS Number:
115412-57-2
Molecular Formula:
C6H13ClS
Molecular Weight:
152.6854
IUPAC Name:
1-chloro-3-propylsulfanylpropane
InChI:
InChI=1S/C6H13ClS/c1-2-5-8-6-3-4-7/h2-6H2,1H3
InChI Key:
HLNCNJLUHNYBBC-UHFFFAOYSA-N
SMILES:
CCCSCCCCl
Properties
Complexity:
39.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.043g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
152.68g/mol
Monoisotopic Mass:
152.043g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
25.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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