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1820603-84-6 | 1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-3-(methylthio)propan-1-amine oxalate
CAS No: 1820603-84-6 Catalog No: AG01FLSV MDL No:MFCD28370003
Product Description
Catalog Number:
AG01FLSV
Chemical Name:
1-(3-Isopropyl-1,2,4-oxadiazol-5-yl)-3-(methylthio)propan-1-amine oxalate
CAS Number:
1820603-84-6
Molecular Formula:
C11H19N3O5S
Molecular Weight:
305.3507
MDL Number:
MFCD28370003
IUPAC Name:
3-methylsulfanyl-1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine;oxalic acid
InChI:
InChI=1S/C9H17N3OS.C2H2O4/c1-6(2)8-11-9(13-12-8)7(10)4-5-14-3;3-1(4)2(5)6/h6-7H,4-5,10H2,1-3H3;(H,3,4)(H,5,6)
InChI Key:
GSDLROBGZWYYQE-UHFFFAOYSA-N
SMILES:
OC(=O)C(=O)O.CSCCC(c1onc(n1)C(C)C)N
Properties
Complexity:
240
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
2
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
305.105g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
9
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
305.349g/mol
Monoisotopic Mass:
305.105g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
165A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
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