3-Thiophenemethanamine, tetrahydro-, 1,1-dioxide


Chemical Name: 3-Thiophenemethanamine, tetrahydro-, 1,1-dioxide
CAS Number: 45697-13-0
Product Number: AG00DAU2(AGN-PC-0KKUKY)
Synonyms:
MDL No:
Molecular Formula: C5H11NO2S
Molecular Weight: 149.2113

Identification/Properties


Computed Properties
Molecular Weight:
149.208g/mol
XLogP3:
-1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
149.051g/mol
Monoisotopic Mass:
149.051g/mol
Topological Polar Surface Area:
68.5A^2
Heavy Atom Count:
9
Formal Charge:
0
Complexity:
180
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:
N/A
Signal Word:
UN#:
N/A
Hazard Statements:
-
Precautionary Statements:
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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