Pentanoic acid, 4-cyano-4-[[(dodecylthio)thioxomethyl]thio]-


Chemical Name: Pentanoic acid, 4-cyano-4-[[(dodecylthio)thioxomethyl]thio]-
CAS Number: 870196-80-8
Product Number: AG003L8W(AGN-PC-0BSC6F)
Synonyms:
MDL No: MFCD11040288
Molecular Formula: C19H33NO2S3
Molecular Weight: 403.6658

Identification/Properties


Properties
MP:
59-62°C
Storage:
Keep in dry area;-10 ℃;
Form:
Solid
Stability:
light sensitive
Computed Properties
Molecular Weight:
403.658g/mol
XLogP3:
7.6
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
6
Rotatable Bond Count:
17
Exact Mass:
403.167g/mol
Monoisotopic Mass:
403.167g/mol
Topological Polar Surface Area:
144A^2
Heavy Atom Count:
25
Formal Charge:
0
Complexity:
434
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
Signal Word:
Warning
UN#:
N/A
Hazard Statements:
H302+H312+H332-H315-H319
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312+P330-P302+P352+P312+P362+P364-P304+P340+P312-P305+P351+P338+P337+P313-P501
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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