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79894-57-8 | 2-Cyclobuten-1-one, 3-(1,1-dimethylethoxy)-2,4-bis(propylthio)-
CAS No: 79894-57-8 Catalog No: AG004ZDS MDL No:
Product Description
Catalog Number:
AG004ZDS
Chemical Name:
2-Cyclobuten-1-one, 3-(1,1-dimethylethoxy)-2,4-bis(propylthio)-
CAS Number:
79894-57-8
Molecular Formula:
C14H24O2S2
Molecular Weight:
288.4692
IUPAC Name:
3-[(2-methylpropan-2-yl)oxy]-2,4-bis(propylsulfanyl)cyclobut-2-en-1-one
InChI:
InChI=1S/C14H24O2S2/c1-6-8-17-12-10(15)13(18-9-7-2)11(12)16-14(3,4)5/h12H,6-9H2,1-5H3
InChI Key:
QADBSILEXOPZJY-UHFFFAOYSA-N
SMILES:
CCCSC1C(=O)C(=C1OC(C)(C)C)SCCC
Properties
Complexity:
329
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
288.122g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
288.464g/mol
Monoisotopic Mass:
288.122g/mol
Rotatable Bond Count:
8
Topological Polar Surface Area:
76.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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