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Home Sulfos 1-Ethyl-5-(morpholin-4-ylsulfonyl)-1h-benzimidazole-2-thiol

1-Ethyl-5-(morpholin-4-ylsulfonyl)-1h-benzimidazole-2-thiol

CAS No.:
733030-44-9
Catalog Number:
AG00ICDV
Molecular Formula:
C13H17N3O3S2
Molecular Weight:
327.4224
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Product Description
Catalog Number:
AG00ICDV
Chemical Name:
1-Ethyl-5-(morpholin-4-ylsulfonyl)-1h-benzimidazole-2-thiol
CAS Number:
733030-44-9
Molecular Formula:
C13H17N3O3S2
Molecular Weight:
327.4224
MDL Number:
MFCD04635810
IUPAC Name:
3-ethyl-6-morpholin-4-ylsulfonyl-1H-benzimidazole-2-thione
InChI:
InChI=1S/C13H17N3O3S2/c1-2-16-12-4-3-10(9-11(12)14-13(16)20)21(17,18)15-5-7-19-8-6-15/h3-4,9H,2,5-8H2,1H3,(H,14,20)
InChI Key:
VJZCFBZBQKGGHL-UHFFFAOYSA-N
SMILES:
CCn1c(S)nc2c1ccc(c2)S(=O)(=O)N1CCOCC1
Properties
Complexity:
499  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
327.071g/mol
Formal Charge:
0
Heavy Atom Count:
21  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
327.417g/mol
Monoisotopic Mass:
327.071g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.5  
Literature
Title Journal
Microsphere-based protease assays and screening application for lethal factor and factor Xa. Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501
Properties