Cas no 31090-77-4 (Thiourea,N-(2-aminoethyl)-N'-phenyl-)
31090-77-4 structure
Product Name:Thiourea,N-(2-aminoethyl)-N'-phenyl-
CAS No:31090-77-4
MF:C9H13N3S
MW:195.284620046616
CID:319047
PubChem ID:2143454
Update Time:2025-04-19
Thiourea,N-(2-aminoethyl)-N'-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea,N-(2-aminoethyl)-N'-phenyl-
- 1-(2-aminoethyl)-3-phenylthiourea
- SCHEMBL4397993
- SASBDWJDZUQEAL-UHFFFAOYSA-N
- 31090-77-4
- 1-Aept
- Oprea1_068838
- F0856-0086
- AKOS000267294
- SDCCGMLS-0065497.P001
- N-(2-Aminoethyl)-N'-phenylthiourea
- HMS1786B07
- Thiourea, N-(2-aminoethyl)-N'-phenyl-
- DTXSID90185037
- CHEMBL1192304
- Z56814594
-
- MDL: MFCD02721511
- Inchi: 1S/C9H13N3S/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H2,11,12,13)
- InChI Key: SASBDWJDZUQEAL-UHFFFAOYSA-N
- SMILES: S=C(NC1C=CC=CC=1)NCCN
Computed Properties
- Exact Mass: 195.08319
- Monoisotopic Mass: 195.083018
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 155
- 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: 0.1
- Topological Polar Surface Area: 82.2
Experimental Properties
- Density: 1.225
- Boiling Point: 316.8°C at 760 mmHg
- Flash Point: 145.4°C
- Refractive Index: 1.67
- PSA: 50.08
Thiourea,N-(2-aminoethyl)-N'-phenyl- Related Literature
-
Qingshuang Xu,Yutao Zhang,Mingming Zhu,Chenxu Yan,Wenle Mao,Wei-Hong Zhu,Zhiqian Guo Chem. Sci. 2023 14 4091
-
2. A dual-mode turn-on fluorescent BODIPY-based probe for visualization of mercury ions in living cellsYue Wang,Fuchao Pan,Yuanlin Zhang,Fangfang Peng,Zhentao Huang,Weijuan Zhang,Weili Zhao Analyst 2016 141 4789
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