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114311-20-5 | 1,3-Dithiane, 2-ethylidene-, 1,3-dioxide
CAS No: 114311-20-5 Catalog No: AG000B29 MDL No:
Product Description
Catalog Number:
AG000B29
Chemical Name:
1,3-Dithiane, 2-ethylidene-, 1,3-dioxide
CAS Number:
114311-20-5
Molecular Formula:
C6H10O2S2
Molecular Weight:
178.2724
IUPAC Name:
2-ethylidene-1,3-dithiane 1,3-dioxide
InChI:
InChI=1S/C6H10O2S2/c1-2-6-9(7)4-3-5-10(6)8/h2H,3-5H2,1H3
InChI Key:
PVQYJXQXQKWFRH-UHFFFAOYSA-N
SMILES:
CC=C1S(=O)CCCS1=O
Properties
Complexity:
190
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
178.012g/mol
Formal Charge:
0
Heavy Atom Count:
10
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
178.264g/mol
Monoisotopic Mass:
178.012g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
72.6A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.5
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