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126790-02-1 | 1,2-Dithiin, 3-ethyl-3,6-dihydro-
CAS No: 126790-02-1 Catalog No: AG000T8E MDL No:
Product Description
Catalog Number:
AG000T8E
Chemical Name:
1,2-Dithiin, 3-ethyl-3,6-dihydro-
CAS Number:
126790-02-1
Molecular Formula:
C6H10S2
Molecular Weight:
146.2736
IUPAC Name:
3-ethyl-3,6-dihydrodithiine
InChI:
InChI=1S/C6H10S2/c1-2-6-4-3-5-7-8-6/h3-4,6H,2,5H2,1H3
InChI Key:
QRXGPSRNGFYLIU-UHFFFAOYSA-N
SMILES:
CCC1SSCC=C1
Properties
Complexity:
88.5
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
146.022g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
146.266g/mol
Monoisotopic Mass:
146.022g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
50.6A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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