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Home Halogens 2-(chloromethyl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazole

2-(chloromethyl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazole

CAS No.:
796106-53-1
Catalog Number:
AG00ID29
Molecular Formula:
C11H11ClN2OS
Molecular Weight:
254.7358
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Product Description
Catalog Number:
AG00ID29
Chemical Name:
2-(chloromethyl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazole
CAS Number:
796106-53-1
Molecular Formula:
C11H11ClN2OS
Molecular Weight:
254.7358
MDL Number:
MFCD06372768
IUPAC Name:
2-(chloromethyl)-5-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1,3,4-oxadiazole
InChI:
InChI=1S/C11H11ClN2OS/c12-6-10-13-14-11(15-10)9-5-7-3-1-2-4-8(7)16-9/h5H,1-4,6H2
InChI Key:
XTEOUMDQPOTKSQ-UHFFFAOYSA-N
SMILES:
ClCc1nnc(o1)c1cc2c(s1)CCCC2
Properties
Complexity:
256  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
254.028g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
254.732g/mol
Monoisotopic Mass:
254.028g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
67.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8  
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