Cas no 51066-54-7 (Benzenecarbothioicacid, sodium salt (1:1))
51066-54-7 structure
Product Name:Benzenecarbothioicacid, sodium salt (1:1)
CAS No:51066-54-7
MF:C7H5NaOS
MW:160.168771505356
CID:373665
PubChem ID:23688990
Update Time:2025-04-19
Benzenecarbothioicacid, sodium salt (1:1) Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbothioicacid, sodium salt (1:1)
- sodium thiobenzoate
- sodium thiophenoate
- Benzenecarbothioic acid, sodium salt
- sodium benzenecarbothioate
- 51066-54-7
- JTHUJOZLDHAGIH-UHFFFAOYSA-M
- Benzenecarbothioic acid, sodium salt (1:1)
- DTXSID4068614
- EINECS 256-944-0
-
- Inchi： 1S/C7H6OS.Na/c8-7(9)6-4-2-1-3-5-6;/h1-5H,(H,8,9);/q;+1/p-1
- InChI Key： JTHUJOZLDHAGIH-UHFFFAOYSA-M
- SMILES： S=C(C1C=CC=CC=1)[O-].[Na+]
Computed Properties
- Exact Mass: 159.99595
- Monoisotopic Mass: 159.99588
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 110
- Covalently-Bonded Unit Count: 2
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- Surface Charge: 0
- Tautomer Count: nothing
- XLogP3: nothing
- Topological Polar Surface Area: 55.2
Experimental Properties
- Boiling Point: 259.3°Cat760mmHg
- Flash Point: 110.6°C
- PSA: 23.06
Benzenecarbothioicacid, sodium salt (1:1) Related Literature
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Eunice Y.-L. Hui,Bhimsen Rout,Yaw Sing Tan,Kok-Ping Chan,Charles W. Johannes Org. Biomol. Chem., 2018,16, 389-392
-
Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
-
Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
-
M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
-
Govind Reddy Mol. Syst. Des. Eng., 2021,6, 779-789
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