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1247501-81-0 | 2H-Thiopyran-4-ethanamine, tetrahydro-, 1,1-dioxide
CAS No: 1247501-81-0 Catalog No: AG000MPE MDL No:MFCD16083241
Product Description
Catalog Number:
AG000MPE
Chemical Name:
2H-Thiopyran-4-ethanamine, tetrahydro-, 1,1-dioxide
CAS Number:
1247501-81-0
Molecular Formula:
C7H15NO2S
Molecular Weight:
177.2645
MDL Number:
MFCD16083241
IUPAC Name:
2-(1,1-dioxothian-4-yl)ethanamine
InChI:
InChI=1S/C7H15NO2S/c8-4-1-7-2-5-11(9,10)6-3-7/h7H,1-6,8H2
InChI Key:
HLAOHLRNYLAIDS-UHFFFAOYSA-N
SMILES:
NCCC1CCS(=O)(=O)CC1
Properties
Complexity:
191
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.082g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.262g/mol
Monoisotopic Mass:
177.082g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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