Cas no 62574-42-9 (Benzo[h]quinazoline-4(1H)-thione)
62574-42-9 structure
Product Name:Benzo[h]quinazoline-4(1H)-thione
CAS No:62574-42-9
MF:C12H8N2S
MW:212.270320892334
CID:439709
Update Time:2024-01-29
Benzo[h]quinazoline-4(1H)-thione Chemical and Physical Properties
Names and Identifiers
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- Benzo[h]quinazoline-4(1H)-thione
- Benzo[h]quinazoline-4(3H)-thione
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- Inchi: 1S/C12H8N2S/c15-12-10-6-5-8-3-1-2-4-9(8)11(10)13-7-14-12/h1-7H,(H,13,14,15)
- InChI Key: VRDYLSVSQGNSQV-UHFFFAOYSA-N
- SMILES: N1C2=C(C=CC3=CC=CC=C32)C(=S)NC=1
Computed Properties
- Exact Mass: 212.04094
Experimental Properties
- Density: 1.34±0.1 g/cm3(Predicted)
- Melting Point: 274-280 °C (decomp)
- Boiling Point: 414.9±28.0 °C(Predicted)
- PSA: 24.39
- pka: -0.13±0.20(Predicted)
Benzo[h]quinazoline-4(1H)-thione Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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Gloria Belén Ramírez-Rodríguez,José Manuel Delgado-López,Jaime Gómez-Morales CrystEngComm, 2013,15, 2206-2212
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Craig A. Kelly,David R. Rosseinsky Phys. Chem. Chem. Phys., 2001,3, 2086-2090
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Sowmyalakshmi Venkataraman RSC Adv., 2015,5, 73807-73813
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