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Home Aldehydes 5-[(4-Methyl-4h-1,2,4-triazol-3-yl)thio]-2-furaldehyde

5-[(4-Methyl-4h-1,2,4-triazol-3-yl)thio]-2-furaldehyde

CAS No.:
938459-16-6
Catalog Number:
AG00GVKX
Molecular Formula:
C8H7N3O2S
Molecular Weight:
209.2251
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$64
- +
5g
95%
In Stock USA
United States
$125
- +
10g
95%
In Stock USA
United States
$187
- +
Product Description
Catalog Number:
AG00GVKX
Chemical Name:
5-[(4-Methyl-4h-1,2,4-triazol-3-yl)thio]-2-furaldehyde
CAS Number:
938459-16-6
Molecular Formula:
C8H7N3O2S
Molecular Weight:
209.2251
MDL Number:
MFCD09055399
IUPAC Name:
5-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]furan-2-carbaldehyde
InChI:
InChI=1S/C8H7N3O2S/c1-11-5-9-10-8(11)14-7-3-2-6(4-12)13-7/h2-5H,1H3
InChI Key:
KMBWSLQWLYHFMA-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(o1)Sc1nncn1C
Properties
Complexity:
217  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.026g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.223g/mol
Monoisotopic Mass:
209.026g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
86.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Properties