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87473-93-6 | 1,3-Benzodithiole-4-sulfonic acid, 2,2-dimethyl-, 1-methylethyl ester
CAS No: 87473-93-6 Catalog No: AG004FNP MDL No:
Product Description
Catalog Number:
AG004FNP
Chemical Name:
1,3-Benzodithiole-4-sulfonic acid, 2,2-dimethyl-, 1-methylethyl ester
CAS Number:
87473-93-6
Molecular Formula:
C12H16O3S3
Molecular Weight:
304.4486
IUPAC Name:
propan-2-yl 2,2-dimethyl-1,3-benzodithiole-4-sulfonate
InChI:
InChI=1S/C12H16O3S3/c1-8(2)15-18(13,14)10-7-5-6-9-11(10)17-12(3,4)16-9/h5-8H,1-4H3
InChI Key:
IGXBPVFCASIMLC-UHFFFAOYSA-N
SMILES:
CC(OS(=O)(=O)c1cccc2c1SC(S2)(C)C)C
Properties
Complexity:
397
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
304.026g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
304.437g/mol
Monoisotopic Mass:
304.026g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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