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17660-58-1 | Butanedioic acid, 2,3-dimercapto-, 1,4-diethyl ester
CAS No: 17660-58-1 Catalog No: AG0024SM MDL No:
Product Description
Catalog Number:
AG0024SM
Chemical Name:
Butanedioic acid, 2,3-dimercapto-, 1,4-diethyl ester
CAS Number:
17660-58-1
Molecular Formula:
C8H14O4S2
Molecular Weight:
238.3244
IUPAC Name:
diethyl 2,2-bis(sulfanyl)butanedioate
InChI:
InChI=1S/C8H14O4S2/c1-3-11-6(9)5-8(13,14)7(10)12-4-2/h13-14H,3-5H2,1-2H3
InChI Key:
JZBUAOFTPQFECC-UHFFFAOYSA-N
SMILES:
CCOC(=O)C(C(C(=O)OCC)S)S
Properties
Complexity:
215
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
238.033g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
238.316g/mol
Monoisotopic Mass:
238.033g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
54.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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