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DoPAT

CAS No.:
558484-21-2
Catalog Number:
AG00DLL3
Molecular Formula:
Molecular Weight:
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Product Description
Catalog Number:
AG00DLL3
Chemical Name:
DoPAT
CAS Number:
558484-21-2
MDL Number:
MFCD22200510
IUPAC Name:
2-dodecylsulfanylcarbothioylsulfanylpropanoic acid
InChI:
InChI=1S/C16H30O2S3/c1-3-4-5-6-7-8-9-10-11-12-13-20-16(19)21-14(2)15(17)18/h14H,3-13H2,1-2H3,(H,17,18)
InChI Key:
CFCFZJHCTNKHGJ-UHFFFAOYSA-N
Properties
Complexity:
283  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
350.141g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
350.594g/mol
Monoisotopic Mass:
350.141g/mol
Rotatable Bond Count:
15  
Topological Polar Surface Area:
120A^2
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0
XLogP3:
7.8  
Literature
Title Journal
2-[(Dodecylsulfanyl)carbonothioyl-sulfanyl]-propanoic acid. Acta crystallographica. Section E, Structure reports online 20110401
Properties