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17564-27-1 | 1,3-Dithiolane, 2-ethyl-4-methyl-
CAS No: 17564-27-1 Catalog No: AG00213M MDL No:
Product Description
Catalog Number:
AG00213M
Chemical Name:
1,3-Dithiolane, 2-ethyl-4-methyl-
CAS Number:
17564-27-1
Molecular Formula:
C6H12S2
Molecular Weight:
148.2895
IUPAC Name:
2-ethyl-4-methyl-1,3-dithiolane
InChI:
InChI=1S/C6H12S2/c1-3-6-7-4-5(2)8-6/h5-6H,3-4H2,1-2H3
InChI Key:
PYBVIKJOGRMFFA-UHFFFAOYSA-N
SMILES:
CCC1SCC(S1)C
Properties
Complexity:
72.9
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.038g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.282g/mol
Monoisotopic Mass:
148.038g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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