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122152-29-8 | 1,2-Dithiolan-4-one, 3,5-dimethyl-
CAS No: 122152-29-8 Catalog No: AG0016UW MDL No:
Product Description
Catalog Number:
AG0016UW
Chemical Name:
1,2-Dithiolan-4-one, 3,5-dimethyl-
CAS Number:
122152-29-8
Molecular Formula:
C5H8OS2
Molecular Weight:
148.2464
IUPAC Name:
3,5-dimethyldithiolan-4-one
InChI:
InChI=1S/C5H8OS2/c1-3-5(6)4(2)8-7-3/h3-4H,1-2H3
InChI Key:
DYTKSLFUSUKZJN-UHFFFAOYSA-N
SMILES:
CC1SSC(C1=O)C
Properties
Complexity:
101
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
148.002g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
148.238g/mol
Monoisotopic Mass:
148.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.7A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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