Cas no 7227-57-8 (4-pyridinethiol)
4-pyridinethiol structure
Product Name:4-pyridinethiol
CAS No:7227-57-8
MF:C5H5NS
MW:111.164899587631
CID:1758314
PubChem ID:2723889
Update Time:2025-04-21
4-pyridinethiol Chemical and Physical Properties
Names and Identifiers
-
- 4-pyridinethiol
- Pyridine, 4-mercapto-
- 1H-pyridine-4-thione
- DB-028941
- 4-Thiopyridine
- M0630
- 7227-57-8
- NSC76036
- EINECS 224-926-1
- NSC-76036
- 4556-23-4
- 5-21-07-00167 (Beilstein Handbook Reference)
- A826843
- SCHEMBL73739
- 4-Mercaptopyridine
- AC-24180
- AKOS000187925
- Pyridine-4-thiol
- FG-0489
- ZH8DP7EE6V
- NSC 76036
- BRN 0105869
- 4-Pyridinethione
- G64195
- 4-Pyridinethiol; 4-Thiopyridine; 4-Sulfanylpyridine; NSC 76036
- 4(1H)-Pyridinethione
- 4-mercapto-pyridine
- 4mercaptopyridine
- A1-01079
- EN300-100322
- DTXSID70878773
- BP-10932
- BRN 0105392
- 4-Mercaptopyridine, 95%
- MFCD00006422
- 19829-29-9
- 4-Pyridyl Mercaptan
- NS00047951
- 4-mercapto pyridine
- CS-W013664
- F10307
- CHEMBL1688955
- Pyridine-4(1H)-thione
-
- Inchi： 1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
- InChI Key： FHTDDANQIMVWKZ-UHFFFAOYSA-N
- SMILES： S=C1C=CNC=C1
Computed Properties
- Exact Mass: 111.014
- Monoisotopic Mass: 111.014
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 7
- Rotatable Bond Count: 0
- Complexity: 121
- 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: _0.7
- Topological Polar Surface Area: 44.1A^2
Experimental Properties
- Color/Form: 黃色至棕色晶體 或結(jié)晶粉末
- Density: 1.2
- Melting Point: 182-189 °C
- Boiling Point: 176.5 °C at 760 mmHg
- Flash Point: 60.5 °C
- PSA: 51.69000
- LogP: 1.37030
4-pyridinethiol Related Literature
-
Kaiyuan Huang,Wangkang Qiu,Meilian Ou,Xiaorui Liu,Zenan Liao,Sheng Chu RSC Adv., 2020,10, 18824-18829
-
Cheng Fang,Jinjian Wu,Zahra Sobhani,Md. Al Amin,Youhong Tang Anal. Methods, 2019,11, 163-170
-
Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
-
5. An autonomous self-optimizing flow machine for the synthesis of pyridine–oxazoline (PyOX) ligands?Eric Wimmer,Daniel Cortés-Borda,Solène Brochard,Elvina Barré,Charlotte Truchet,Fran?ois-Xavier Felpin React. Chem. Eng., 2019,4, 1608-1615
7227-57-8 (4-pyridinethiol) Related Products
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