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15890-04-7 | Butanedioic acid, 2-(dodecylthio)-, 1,4-dimethyl ester
CAS No: 15890-04-7 Catalog No: AG001QZV MDL No:
Product Description
Catalog Number:
AG001QZV
Chemical Name:
Butanedioic acid, 2-(dodecylthio)-, 1,4-dimethyl ester
CAS Number:
15890-04-7
Molecular Formula:
C18H34O4S
Molecular Weight:
346.5252
IUPAC Name:
dimethyl 2-dodecylsulfanylbutanedioate
InChI:
InChI=1S/C18H34O4S/c1-4-5-6-7-8-9-10-11-12-13-14-23-16(18(20)22-3)15-17(19)21-2/h16H,4-15H2,1-3H3
InChI Key:
BCKUJRNQZDMSPN-UHFFFAOYSA-N
SMILES:
CCCCCCCCCCCCSC(C(=O)OC)CC(=O)OC
NSC Number:
22407
Properties
Complexity:
307
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
346.218g/mol
Formal Charge:
0
Heavy Atom Count:
23
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
346.526g/mol
Monoisotopic Mass:
346.218g/mol
Rotatable Bond Count:
17
Topological Polar Surface Area:
77.9A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
6.2
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