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141056-24-8 | Butanedioic acid, 2,3-dimercapto-, 4-(3-methylbutyl) ester
CAS No: 141056-24-8 Catalog No: AG001FT8 MDL No:
Product Description
Catalog Number:
AG001FT8
Chemical Name:
Butanedioic acid, 2,3-dimercapto-, 4-(3-methylbutyl) ester
CAS Number:
141056-24-8
Molecular Formula:
C9H15O4S2-
Molecular Weight:
251.3430
IUPAC Name:
4-(3-methylbutoxy)-4-oxo-2,3-bis(sulfanyl)butanoate
InChI:
InChI=1S/C9H16O4S2/c1-5(2)3-4-13-9(12)7(15)6(14)8(10)11/h5-7,14-15H,3-4H2,1-2H3,(H,10,11)/p-1
InChI Key:
RIBYSYWXWXMDSW-UHFFFAOYSA-M
SMILES:
SC(C(C(=O)[O-])S)C(=O)OCCC(C)C
Properties
Complexity:
225
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.041g/mol
Formal Charge:
-1
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
251.335g/mol
Monoisotopic Mass:
251.041g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
68.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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