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828-81-9 | 5-(2-Chlorophenyl);-1,3,4-thiadiazol-2-amine
CAS No: 828-81-9 Catalog No: AG004WFG MDL No:MFCD00548482
Product Description
Catalog Number:
AG004WFG
Chemical Name:
5-(2-Chlorophenyl);-1,3,4-thiadiazol-2-amine
CAS Number:
828-81-9
Molecular Formula:
C8H6ClN3S
Molecular Weight:
211.6713
MDL Number:
MFCD00548482
IUPAC Name:
5-(2-chlorophenyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C8H6ClN3S/c9-6-4-2-1-3-5(6)7-11-12-8(10)13-7/h1-4H,(H2,10,12)
InChI Key:
JKSGNHRIXMYPIO-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)c1ccccc1Cl
Properties
Complexity:
181
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.997g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
211.667g/mol
Monoisotopic Mass:
210.997g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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 |
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