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82813-65-8 | Thiophene, 2,3-dihydro-4-(pentylthio)-, 1,1-dioxide
CAS No: 82813-65-8 Catalog No: AG0056AZ MDL No:
Product Description
Catalog Number:
AG0056AZ
Chemical Name:
Thiophene, 2,3-dihydro-4-(pentylthio)-, 1,1-dioxide
CAS Number:
82813-65-8
Molecular Formula:
C9H16O2S2
Molecular Weight:
220.3521
IUPAC Name:
4-pentylsulfanyl-2,3-dihydrothiophene 1,1-dioxide
InChI:
InChI=1S/C9H16O2S2/c1-2-3-4-6-12-9-5-7-13(10,11)8-9/h8H,2-7H2,1H3
InChI Key:
QOKQMROTSJDIOB-UHFFFAOYSA-N
SMILES:
CCCCCSC1=CS(=O)(=O)CC1
Properties
Complexity:
273
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
220.059g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
220.345g/mol
Monoisotopic Mass:
220.059g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
67.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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