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113823-69-1 | 4,8-Dioxa-2,6-dithiadodecanethioic acid, 7-thioxo-, O-butyl ester
CAS No: 113823-69-1 Catalog No: AG0009SW MDL No:
Product Description
Catalog Number:
AG0009SW
Chemical Name:
4,8-Dioxa-2,6-dithiadodecanethioic acid, 7-thioxo-, O-butyl ester
CAS Number:
113823-69-1
Molecular Formula:
C12H22O3S4
Molecular Weight:
342.5613
IUPAC Name:
O-butyl butoxycarbothioylsulfanylmethoxymethylsulfanylmethanethioate
InChI:
InChI=1S/C12H22O3S4/c1-3-5-7-14-11(16)18-9-13-10-19-12(17)15-8-6-4-2/h3-10H2,1-2H3
InChI Key:
SJAJKDTVNSJKEZ-UHFFFAOYSA-N
SMILES:
CCCCOC(=S)SCOCSC(=S)OCCCC
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
342.045g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
342.545g/mol
Monoisotopic Mass:
342.045g/mol
Rotatable Bond Count:
14
Topological Polar Surface Area:
143A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.6
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