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134796-34-2,MFCD01211119
Catalog No.:AA003IOO
134796-34-2 | 3-[(4-Chlorobenzyl)thio]-1h-1,2,4-triazole
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250mg
2 weeks  
$210.00   $147.00
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500mg
>95%
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$360.00   $252.00
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1g
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$576.00   $403.00
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5g
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$1,873.00   $1,311.00
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10g
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$3,387.00   $2,371.00
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  • Technical Information
  • Properties
  • Literature
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  • Q & A
  • Technical Information
  • Properties
  • Literature
Technical Information
Catalog Number:
AA003IOO
Chemical Name:
3-[(4-Chlorobenzyl)thio]-1h-1,2,4-triazole
CAS Number:
134796-34-2
Molecular Formula:
C9H8ClN3S
Molecular Weight:
225.6979
MDL Number:
MFCD01211119
IUPAC Name:
5-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole
InChI:
InChI=1S/C9H8ClN3S/c10-8-3-1-7(2-4-8)5-14-9-11-6-12-13-9/h1-4,6H,5H2,(H,11,12,13)
InChI Key:
IPYLPWUQKVUWGY-UHFFFAOYSA-N
SMILES:
Clc1ccc(cc1)CSc1n[nH]cn1
Properties
Computed Properties
 
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
225.013g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
225.694g/mol
Monoisotopic Mass:
225.013g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
66.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3  

Synonyms
 
134796-34-2 
3-[(4-Chlorobenzyl)Thio]-1H-1,2,4-Triazole 
3-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazole 
AC1Q3JKR 
CBMicro_005601 
ChemDiv2_000973 
AC1LEW80 
Cambridge id 5854799 
ACMC-1C66S 
cid_719011 
SCHEMBL9851979 
CHEMBL1370411 
3-((4-Chlorobenzyl)thio)-1H-1,2,4-triazole 
BDBM44787 
CTK4B9435 
KS-00001TQX 
DTXSID50352102 
HMS1371M05 
HMS1678O11 
HMS2166F09 
HMS3308N04 
SMSF0009980 
BBL034823 
3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-1,2,4-triazole 
SBB040436 
STK730544 
ZINC18190599 
AKOS000268450 
AKOS000269105 
AKOS002276310 
1N-568S 
CB07711 
CCG-109520 
MCULE-4058952609 
MLS000108644 
NE40497 
BAS 01127328 
BIM-0005444.P001 
RT-008908 
ST4043396 
FT-0739983 
4-chlorobenzyl 1H-1,2,4-triazol-3-yl sulfide 
4-chlorobenzyl 1H-1,2,4-triazol-5-yl sulfide 
5-[(4-chlorobenzyl)thio]-1H-1,2,4-triazole 
3-(4-chlorobenzylsulfanyl)-1H-[1,2,4]triazole 
MFCD01211119 
AF-399/37297046 
SR-01000494646 
5-[(4-chlorophenyl)methylthio]-1H-1,2,4-triazole 
SR-01000494646-1 
3-[(4-chlorophenyl)methylsulfanyl]-4H-1,2,4-triazole 
I14-108298 
Z1699857076 
A1931/0081287 
3-{[(4-chlorophenyl)methyl]sulfanyl}-1H-[1,2,4]TRIAZOLE 
AIDS225007 
SMR000104597 
CID719011 
3-(4-Chloro-benzylsulfanyl)-4H-[1,2,4]triazole 
3-[(4-chlorobenzyl)sulfanyl]-4H-1,2,4-triazole 
5-[(4-chlorophenyl)methylsulfanyl]-1H-1,2,4-triazole 
Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: Synthesis and antimycobacterial activity of 1,2,4-triazole 3-benzylsulfanyl derivatives.

Journal: Farmaco (Societa chimica italiana : 1989) 20040401

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