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Home Halogens 2-Amino-5-[3,4-dichlorophenyl]-1,3,4-thiadiazole

2-Amino-5-[3,4-dichlorophenyl]-1,3,4-thiadiazole

CAS No.:
28004-64-0
Catalog Number:
AG00BKQE
Molecular Formula:
C8H5Cl2N3S
Molecular Weight:
246.1164
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Product Description
Catalog Number:
AG00BKQE
Chemical Name:
2-Amino-5-[3,4-dichlorophenyl]-1,3,4-thiadiazole
CAS Number:
28004-64-0
Molecular Formula:
C8H5Cl2N3S
Molecular Weight:
246.1164
MDL Number:
MFCD01191258
IUPAC Name:
5-(3,4-dichlorophenyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C8H5Cl2N3S/c9-5-2-1-4(3-6(5)10)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChI Key:
QNVGTVGYFLNBOG-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)c1ccc(c(c1)Cl)Cl
Properties
Complexity:
207  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
244.958g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
246.109g/mol
Monoisotopic Mass:
244.958g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9  
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