2H-Thiopyran-4-carboxylic acid, 4-aminotetrahydro-


Chemical Name: 2H-Thiopyran-4-carboxylic acid, 4-aminotetrahydro-
CAS Number: 39124-16-8
Product Number: AG0076IB(AGN-PC-0JMB01)
Synonyms:
MDL No: MFCD06656113
Molecular Formula: C6H11NO2S
Molecular Weight: 161.2220

Identification/Properties


Computed Properties
Molecular Weight:
161.219g/mol
XLogP3:
-2.4
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
161.051g/mol
Monoisotopic Mass:
161.051g/mol
Topological Polar Surface Area:
88.6A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
143
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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