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Home Aminos 2-Benzylthio-5-amino-1,3,4-thiadiazole

2-Benzylthio-5-amino-1,3,4-thiadiazole

CAS No.:
25660-71-3
Catalog Number:
AG007MDA
Molecular Formula:
C9H9N3S2
Molecular Weight:
223.3179
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
98%
In Stock USA
United States
$88
- +
5g
98%
In Stock USA
United States
$300
- +
10g
98%
In Stock USA
United States
$475
- +
Product Description
Catalog Number:
AG007MDA
Chemical Name:
2-Benzylthio-5-amino-1,3,4-thiadiazole
CAS Number:
25660-71-3
Molecular Formula:
C9H9N3S2
Molecular Weight:
223.3179
MDL Number:
MFCD00184237
IUPAC Name:
5-benzylsulfanyl-1,3,4-thiadiazol-2-amine
InChI:
InChI=1S/C9H9N3S2/c10-8-11-12-9(14-8)13-6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,11)
InChI Key:
BHIGBGKIAJJBGD-UHFFFAOYSA-N
SMILES:
Nc1nnc(s1)SCc1ccccc1
NSC Number:
204491
Properties
Complexity:
173  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.024g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
223.312g/mol
Monoisotopic Mass:
223.024g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
105A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
Synthesis of 2-amino-5-sulfanyl-1,3,4-thiadiazole derivatives and evaluation of their antidepressant and anxiolytic activity. Journal of medicinal chemistry 20010315
Properties