1-Phenyl-1h-1,2,4-triazole-3-thiol

Name: 1-Phenyl-1h-1,2,4-triazole-3-thiol
Brand: ChemScene
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CAS No. 21434-14-0
Cat. No. CS-0243368
Purity≥97%
MDL No.None

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Excepted Quantity	$0.00
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1-Phenyl-1h-1,2,4-triazole-3-thiol|CS-0243368

Structure of 21434-14-0

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General Information

CAS No. 21434-14-0
Cat. No. CS-0243368
Purity ≥97%
MDL No. None
Storage Sealed in dry,2-8℃
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₈H₇N₃S
Molecular Weight 177.23
Synonym(s) 1,2-Dihydro-1-phenyl-3H-1,2,4-triazole-3-thione
SMILES SC1=NN(C2=CC=CC=C2)C=N1

Synthesis

Route1
- 64-18-6
- 645-48-7
- ~55%
- 21434-14-0
References
- Trzhtsinskaya, B. V.; Rudakova, E. V.; Afonin, A. V.; Voronov, V. K.; Pertsikov, B. Z. Bulletin of the Academy of Sciences of the USSR, Division of Chemical Science (English Translation), 1986 , vol. 35, # 12 p. 2516 - 2518 Izvestiya Akademii Nauk SSSR, Seriya Khimicheskaya, 1986 , # 12 p. 2745 - 2747
Route2
- 6942-46-7
- ~%
- 21434-14-0
References
- Pellizzari; Ferro Gazzetta Chimica Italiana, 1898 , vol. 28, p. II 550

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

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Computational Chemistry Data

TPSA 30.71
LogP 1.556
H_Acceptors 4
H_Donors 1
Rotatable_Bonds 1

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Triazole compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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1-Phenyl-1h-1,2,4-triazole-3-thiol

CAS No. 21434-14-0

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