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98659-84-8 | 2H-Imidazole-2-thione, 1,3-dihydro-1-[2-(4-morpholinyl)ethyl]-
CAS No: 98659-84-8 Catalog No: AG006R3T MDL No:
Product Description
Catalog Number:
AG006R3T
Chemical Name:
2H-Imidazole-2-thione, 1,3-dihydro-1-[2-(4-morpholinyl)ethyl]-
CAS Number:
98659-84-8
Molecular Formula:
C9H15N3OS
Molecular Weight:
213.2999
IUPAC Name:
3-(2-morpholin-4-ylethyl)-1H-imidazole-2-thione
InChI:
InChI=1S/C9H15N3OS/c14-9-10-1-2-12(9)4-3-11-5-7-13-8-6-11/h1-2H,3-8H2,(H,10,14)
InChI Key:
DHOHUHASZYRZNB-UHFFFAOYSA-N
SMILES:
S=c1[nH]ccn1CCN1CCOCC1
Properties
Complexity:
238
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
213.094g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
213.299g/mol
Monoisotopic Mass:
213.094g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
59.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.4
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