Home Other Building Blocks 5-Amino-4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazole-3-thiol

5-Amino-4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazole-3-thiol

CAS No.:
878671-96-6
Catalog Number:
AG0039Q3
Molecular Formula:
C15H14N4S
Molecular Weight:
282.3635
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
97%
1 week
United States
$181
- +
5g
97%
1 week
United States
$466
- +
10g
97%
1 week
United States
$750
- +
Product Description
Catalog Number:
AG0039Q3
Chemical Name:
5-Amino-4-(4-cyclopropylnaphthalen-1-yl)-4h-1,2,4-triazole-3-thiol
CAS Number:
878671-96-6
Molecular Formula:
C15H14N4S
Molecular Weight:
282.3635
MDL Number:
MFCD09991698
IUPAC Name:
3-amino-4-(4-cyclopropylnaphthalen-1-yl)-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C15H14N4S/c16-14-17-18-15(20)19(14)13-8-7-10(9-5-6-9)11-3-1-2-4-12(11)13/h1-4,7-9H,5-6H2,(H2,16,17)(H,18,20)
InChI Key:
VHPOGQZYQNLNNN-UHFFFAOYSA-N
SMILES:
Nc1n[nH]c(=S)n1c1ccc(c2c1cccc2)C1CC1
Properties
Complexity:
445  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.094g/mol
Formal Charge:
0
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
282.365g/mol
Monoisotopic Mass:
282.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
85.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1  
Properties