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Home > Other Building Blocks > 88934-47-8
88934-47-8 | 1,4-Dithiin, 2,3-diethyl-5,6-dihydro-
CAS No: 88934-47-8 Catalog No: AG004805 MDL No:
Product Description
Catalog Number:
AG004805
Chemical Name:
1,4-Dithiin, 2,3-diethyl-5,6-dihydro-
CAS Number:
88934-47-8
Molecular Formula:
C8H14S2
Molecular Weight:
174.3268
IUPAC Name:
5,6-diethyl-2,3-dihydro-1,4-dithiine
InChI:
InChI=1S/C8H14S2/c1-3-7-8(4-2)10-6-5-9-7/h3-6H2,1-2H3
InChI Key:
HYMVECPCAGTRFN-UHFFFAOYSA-N
SMILES:
CCC1=C(CC)SCCS1
Properties
Complexity:
122
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.054g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
174.32g/mol
Monoisotopic Mass:
174.054g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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