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116505-59-0 | 1,2,4-Trithiolane, 3-ethyl-5-methyl-
CAS No: 116505-59-0 Catalog No: AG000CN8 MDL No:
Product Description
Catalog Number:
AG000CN8
Chemical Name:
1,2,4-Trithiolane, 3-ethyl-5-methyl-
CAS Number:
116505-59-0
Molecular Formula:
C5H10S3
Molecular Weight:
166.3279
IUPAC Name:
3-ethyl-5-methyl-1,2,4-trithiolane
InChI:
InChI=1S/C5H10S3/c1-3-5-6-4(2)7-8-5/h4-5H,3H2,1-2H3
InChI Key:
SHLIDHGBMLQTDS-UHFFFAOYSA-N
SMILES:
CCC1SSC(S1)C
Properties
Complexity:
74.1
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
165.994g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
166.315g/mol
Monoisotopic Mass:
165.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
75.9A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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