Cas no 13991-81-6 (Thiourea,N,N'-bis[4-(dimethylamino)phenyl]-)
13991-81-6 structure
Product Name:Thiourea,N,N'-bis[4-(dimethylamino)phenyl]-
CAS No:13991-81-6
MF:C17H22N4S
MW:314.448381900787
CID:180572
Update Time:2024-01-25
Thiourea,N,N'-bis[4-(dimethylamino)phenyl]- Chemical and Physical Properties
Names and Identifiers
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- Thiourea,N,N'-bis[4-(dimethylamino)phenyl]-
- 1,1-bis[4-(dimethylamino)phenyl]thiourea
- 4,4'-BIS(DIMETHYLAMINO)THIOCARBANILIDE
- N,N'-Bis-(4-dimethylamino-phenyl)-thioharnstoff
- N,N'-bis-(4-dimethylamino-phenyl)-thiourea
- N,N-BIS(4-DIMETHYLAMINOPHENYL)THIOUREA
- 1,3-BIS(4-(DIMETHYLAMINO)PHENYL)-2-THIOUREA
- Thiourea, N,N'-bis[4-(dimethylamino)phenyl]-
-
- Inchi: 1S/C17H22N4S/c1-20(2)15-9-5-13(6-10-15)18-17(22)19-14-7-11-16(12-8-14)21(3)4/h5-12H,1-4H3,(H2,18,19,22)
- InChI Key: PZLTXMRUOFZLOW-UHFFFAOYSA-N
- SMILES: N(C1=CC=C(N(C)C)C=C1)C(NC1=CC=C(N(C)C)C=C1)=S
Computed Properties
- Exact Mass: 314.15676
- Monoisotopic Mass: 314.156517
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 4
- Complexity: 311
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.4
- Topological Polar Surface Area: 62.6
Experimental Properties
- Density: 1.239
- Boiling Point: 464.4°Cat760mmHg
- Flash Point: 234.7°C
- Refractive Index: 1.727
- PSA: 30.54
- LogP: 3.77350
Thiourea,N,N'-bis[4-(dimethylamino)phenyl]- Related Literature
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
-
Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
13991-81-6 (Thiourea,N,N'-bis[4-(dimethylamino)phenyl]-) Related Products
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