Butanoic acid, 4-(2-benzothiazolylthio)-


Chemical Name: Butanoic acid, 4-(2-benzothiazolylthio)-
CAS Number: 80357-74-0
Product Number: AG005BHD(AGN-PC-0JPDYI)
Synonyms:
MDL No:
Molecular Formula: C11H10NO2S2-
Molecular Weight: 252.3326

Identification/Properties


Computed Properties
Molecular Weight:
253.334g/mol
XLogP3:
2.2
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
5
Exact Mass:
253.023g/mol
Monoisotopic Mass:
253.023g/mol
Topological Polar Surface Area:
104A^2
Heavy Atom Count:
16
Formal Charge:
0
Complexity:
250
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

Safety Information


GHS Pictogram:
N/A
Signal Word:
UN#:
-
Hazard Statements:
-
Precautionary Statements:
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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