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126661-40-3 | 1,4-Dithiane-2,5-diol, 2,5-dimethyl-, 2,5-diacetate
CAS No: 126661-40-3 Catalog No: AG000T1I MDL No:
Product Description
Catalog Number:
AG000T1I
Chemical Name:
1,4-Dithiane-2,5-diol, 2,5-dimethyl-, 2,5-diacetate
CAS Number:
126661-40-3
Molecular Formula:
C10H16O4S2
Molecular Weight:
264.3616
IUPAC Name:
acetic acid;2,5-dimethyl-1,4-dithiane-2,5-diol
InChI:
InChI=1S/C6H12O2S2.2C2H4O2/c1-5(7)3-10-6(2,8)4-9-5;2*1-2(3)4/h7-8H,3-4H2,1-2H3;2*1H3,(H,3,4)
InChI Key:
MHSDWVSQXOMFRC-UHFFFAOYSA-N
SMILES:
CC(=O)OC1(C)SCC(SC1)(C)OC(=O)C
Properties
Complexity:
157
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
3
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
300.07g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
8
Hydrogen Bond Donor Count:
4
Isotope Atom Count:
0
Molecular Weight:
300.384g/mol
Monoisotopic Mass:
300.07g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
166A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
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