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87947-55-5 | Thiophene-3-ol, 2,3-dihydro-4-(octylthio)-, 1,1-dioxide
CAS No: 87947-55-5 Catalog No: AG004D5D MDL No:
Product Description
Catalog Number:
AG004D5D
Chemical Name:
Thiophene-3-ol, 2,3-dihydro-4-(octylthio)-, 1,1-dioxide
CAS Number:
87947-55-5
Molecular Formula:
C12H22O3S2
Molecular Weight:
278.4313
IUPAC Name:
4-octylsulfanyl-1,1-dioxo-2,3-dihydrothiophen-3-ol
InChI:
InChI=1S/C12H22O3S2/c1-2-3-4-5-6-7-8-16-12-10-17(14,15)9-11(12)13/h10-11,13H,2-9H2,1H3
InChI Key:
QZJPTRLRCHVKBX-UHFFFAOYSA-N
SMILES:
CCCCCCCCSC1=CS(=O)(=O)CC1O
Properties
Complexity:
341
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
278.101g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
278.425g/mol
Monoisotopic Mass:
278.101g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
88A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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