Cas no 13991-80-5 (Thiourea, N,N'-bis(3-nitrophenyl)-)
13991-80-5 structure
Product Name:Thiourea, N,N'-bis(3-nitrophenyl)-
CAS No:13991-80-5
MF:C13H10N4O4S
MW:318.307900905609
CID:1290989
Update Time:2024-08-04
Thiourea, N,N'-bis(3-nitrophenyl)- Chemical and Physical Properties
Names and Identifiers
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- Thiourea, N,N'-bis(3-nitrophenyl)-
- 1,3-BIS(3-NITROPHENYL)-2-THIOUREA
-
- Inchi： 1S/C13H10N4O4S/c18-16(19)11-5-1-3-9(7-11)14-13(22)15-10-4-2-6-12(8-10)17(20)21/h1-8H,(H2,14,15,22)
- InChI Key： QYXZLVQATVFGJH-UHFFFAOYSA-N
- SMILES： N(C1=CC=CC([N+]([O-])=O)=C1)C(NC1=CC=CC([N+]([O-])=O)=C1)=S
Computed Properties
- Exact Mass: 318.0424
Experimental Properties
- Density: 1.580±0.06 g/cm3(Predicted)
- Melting Point: 168 °C
- Boiling Point: 466.0±55.0 °C(Predicted)
- PSA: 110.34
- pka: 10.66±0.70(Predicted)
Thiourea, N,N'-bis(3-nitrophenyl)- Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Bidyut Kumar Kundu,Rinky Singh,Ritudhwaj Tiwari,Debasis Nayak New J. Chem., 2019,43, 4867-4877
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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