Cas no 61784-86-9 (1,2-Hydrazinedicarbothioamide, N-ethyl-N'-(4-fluorophenyl)-)
61784-86-9 structure
Product Name:1,2-Hydrazinedicarbothioamide, N-ethyl-N'-(4-fluorophenyl)-
CAS No:61784-86-9
MF:C10H13FN4S2
MW:272.365422010422
CID:466252
PubChem ID:20111555
Update Time:2025-04-19
1,2-Hydrazinedicarbothioamide, N-ethyl-N'-(4-fluorophenyl)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Hydrazinedicarbothioamide, N-ethyl-N'-(4-fluorophenyl)-
- 1-ethyl-3-[(4-fluorophenyl)carbamothioylamino]thiourea
- DTXSID70602575
- 61784-86-9
- AKOS000352193
- N~1~-Ethyl-N~2~-(4-fluorophenyl)hydrazine-1,2-dicarbothioamide
-
- Inchi: 1S/C10H13FN4S2/c1-2-12-9(16)14-15-10(17)13-8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H2,12,14,16)(H2,13,15,17)
- InChI Key: AXOPQWUQDXKNIQ-UHFFFAOYSA-N
- SMILES: S=C(NNC(NCC)=S)NC1C=CC(=CC=1)F
Computed Properties
- Exact Mass: 272.05679
- Monoisotopic Mass: 272.05656694g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 2
- Complexity: 267
- 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: 1.5
- Topological Polar Surface Area: 112?2
Experimental Properties
- PSA: 48.12
1,2-Hydrazinedicarbothioamide, N-ethyl-N'-(4-fluorophenyl)- Related Literature
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Jieun Kim,Han-Saem Park,Tae-Hee Kim,Sung Yeol Kim,Hyun-Kon Song Phys. Chem. Chem. Phys., 2014,16, 5295-5300
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M. T. Colomer,S. Díaz-Moreno,A. Tamayo,A. L. Ortiz J. Mater. Chem. C, 2018,6, 12643-12651
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Xin Fu,Qing-rong Liang,Rong-guang Luo,Yan-shu Li,Xiao-ping Xiao,Lu-lu Yu,Wen-zhe Shan,Guang-qin Fan J. Mater. Chem. B, 2019,7, 3088-3099
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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