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1185294-88-5 | "(3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl)methanamine hydrochloride"
CAS No: 1185294-88-5 Catalog No: AG01FLSZ MDL No:MFCD12027100
Product Description
Catalog Number:
AG01FLSZ
Chemical Name:
"(3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl)methanamine hydrochloride"
CAS Number:
1185294-88-5
Molecular Formula:
C8H10ClN3OS
Molecular Weight:
231.7025
MDL Number:
MFCD12027100
IUPAC Name:
[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]methanamine;hydrochloride
InChI:
InChI=1S/C8H9N3OS.ClH/c9-5-8-10-7(11-12-8)4-6-2-1-3-13-6;/h1-3H,4-5,9H2;1H
InChI Key:
RNWJWSGRZSBNEP-UHFFFAOYSA-N
SMILES:
NCc1onc(n1)Cc1cccs1.Cl
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
231.023g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
231.698g/mol
Monoisotopic Mass:
231.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
93.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
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