Home Other Building Blocks 3-(2-phenylethenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

3-(2-phenylethenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione

CAS No.:
218438-53-0
Catalog Number:
AG01DW8P
Molecular Formula:
C10H9N3S
Molecular Weight:
203.2636
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
Product Description
Catalog Number:
AG01DW8P
Chemical Name:
3-(2-phenylethenyl)-4,5-dihydro-1H-1,2,4-triazole-5-thione
CAS Number:
218438-53-0
Molecular Formula:
C10H9N3S
Molecular Weight:
203.2636
MDL Number:
MFCD26143719
IUPAC Name:
5-[(E)-2-phenylethenyl]-1,2-dihydro-1,2,4-triazole-3-thione
InChI:
InChI=1S/C10H9N3S/c14-10-11-9(12-13-10)7-6-8-4-2-1-3-5-8/h1-7H,(H2,11,12,13,14)/b7-6+
InChI Key:
ALHGVKAIXXQXJE-VOTSOKGWSA-N
SMILES:
Sc1[nH]nc(n1)C=Cc1ccccc1
Properties
Complexity:
277  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
1  
Exact Mass:
203.052g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
1  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0
Molecular Weight:
203.263g/mol
Monoisotopic Mass:
203.052g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
68.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.9  
Properties