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124243-68-1 | Thiophene, 2,5-dihydro-2-(4-penten-1-yl)-4-(phenylthio)-, 1,1-dioxide
CAS No: 124243-68-1 Catalog No: AG000LR5 MDL No:
Product Description
Catalog Number:
AG000LR5
Chemical Name:
Thiophene, 2,5-dihydro-2-(4-penten-1-yl)-4-(phenylthio)-, 1,1-dioxide
CAS Number:
124243-68-1
Molecular Formula:
C15H18O2S2
Molecular Weight:
294.4322
IUPAC Name:
2-pent-4-enyl-4-phenylsulfanyl-2,5-dihydrothiophene 1,1-dioxide
InChI:
InChI=1S/C15H18O2S2/c1-2-3-5-10-15-11-14(12-19(15,16)17)18-13-8-6-4-7-9-13/h2,4,6-9,11,15H,1,3,5,10,12H2
InChI Key:
VIALQGSXNMSTER-UHFFFAOYSA-N
SMILES:
C=CCCCC1C=C(CS1(=O)=O)Sc1ccccc1
Properties
Complexity:
426
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
294.075g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
294.427g/mol
Monoisotopic Mass:
294.075g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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