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23288-90-6

23288-90-6 | 1,3,4-Oxadiazole-2(3H)-thione, 5-(phenylmethyl)-

CAS No: 23288-90-6 Catalog No: AG002MSG MDL No:MFCD01419412

Product Description

Catalog Number:
AG002MSG
Chemical Name:
1,3,4-Oxadiazole-2(3H)-thione, 5-(phenylmethyl)-
CAS Number:
23288-90-6
Molecular Formula:
C9H8N2OS
Molecular Weight:
192.2376
MDL Number:
MFCD01419412
IUPAC Name:
5-benzyl-3H-1,3,4-oxadiazole-2-thione
InChI:
InChI=1S/C9H8N2OS/c13-9-11-10-8(12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H,11,13)
InChI Key:
ARGIBMBTIISQNH-UHFFFAOYSA-N
SMILES:
S=c1[nH]nc(o1)Cc1ccccc1

Properties

Complexity:
234  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.036g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
192.236g/mol
Monoisotopic Mass:
192.036g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
65.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2  

Literature

Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
New potent inhibitors of tyrosinase: novel clues to binding of 1,3,4-thiadiazole-2(3H)-thiones, 1,3,4-oxadiazole-2(3H)-thiones, 4-amino-1,2,4-triazole-5(4H)-thiones, and substituted hydrazides to the dicopper active site. Bioorganic & medicinal chemistry 20100601

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