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88742-94-3

88742-94-3 | 1,3,4-Thiadiazol-2-amine, 5-(1-phenylethyl)-

CAS No: 88742-94-3 Catalog No: AG004E17 MDL No:MFCD01591631

Product Description

Catalog Number:
AG004E17
Chemical Name:
1,3,4-Thiadiazol-2-amine, 5-(1-phenylethyl)-
CAS Number:
88742-94-3
Molecular Formula:
C10H11N3S
Molecular Weight:
205.2794
MDL Number:
MFCD01591631
IUPAC Name:
5-(1-phenylethyl)-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C10H11N3S/c1-7(8-5-3-2-4-6-8)9-12-13-10(11)14-9/h2-7H,1H3,(H2,11,13)
InChI Key:
KFYSQDMAJLTMTR-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)C(c1ccccc1)C

Properties

Complexity:
182  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.067g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
205.279g/mol
Monoisotopic Mass:
205.067g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
80A^2
Undefined Atom Stereocenter Count:
1  
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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