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Home Aminos 5-[4-(Dimethylamino)phenyl]-4-methyl-4h-1,2,4-triazole-3-thiol

5-[4-(Dimethylamino)phenyl]-4-methyl-4h-1,2,4-triazole-3-thiol

CAS No.:
724749-05-7
Catalog Number:
AG00FD3L
Molecular Formula:
C11H14N4S
Molecular Weight:
234.3207
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$168
- +
5g
95%
In Stock USA
United States
$444
- +
Product Description
Catalog Number:
AG00FD3L
Chemical Name:
5-[4-(Dimethylamino)phenyl]-4-methyl-4h-1,2,4-triazole-3-thiol
CAS Number:
724749-05-7
Molecular Formula:
C11H14N4S
Molecular Weight:
234.3207
MDL Number:
MFCD04059448
IUPAC Name:
3-[4-(dimethylamino)phenyl]-4-methyl-1H-1,2,4-triazole-5-thione
InChI:
InChI=1S/C11H14N4S/c1-14(2)9-6-4-8(5-7-9)10-12-13-11(16)15(10)3/h4-7H,1-3H3,(H,13,16)
InChI Key:
ROIBCPQYBHZTGE-UHFFFAOYSA-N
SMILES:
CN(c1ccc(cc1)c1nnc(n1C)S)C
Properties
Complexity:
305  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.094g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
234.321g/mol
Monoisotopic Mass:
234.094g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
63A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties