Cas no 120256-65-7 (1,4-Benzenediol, 2,5-dimercapto-)
120256-65-7 structure
Product Name:1,4-Benzenediol, 2,5-dimercapto-
CAS No:120256-65-7
MF:C6H6O2S2
MW:174.240639209747
CID:1213105
PubChem ID:18943079
Update Time:2025-04-20
1,4-Benzenediol, 2,5-dimercapto- Chemical and Physical Properties
Names and Identifiers
-
- 1,4-Benzenediol, 2,5-dimercapto-
- 120256-65-7
- 2,5-bis(sulfanyl)benzene-1,4-diol
- 2,5-Dimercaptobenzene-1,4-diol
- ABJXFRJEPWAKDM-UHFFFAOYSA-N
- 2,5-Dimercapto-1,4-dihydroxybenzene
- SCHEMBL8538111
-
- Inchi： 1S/C6H6O2S2/c7-3-1-5(9)4(8)2-6(3)10/h1-2,7-10H
- InChI Key： ABJXFRJEPWAKDM-UHFFFAOYSA-N
- SMILES： SC1C=C(C(=CC=1O)S)O
Computed Properties
- Exact Mass: 171.96532
- Monoisotopic Mass: 173.98092178g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 4
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 10
- Rotatable Bond Count: 0
- Complexity: 106
- 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: 42.5?2
Experimental Properties
- PSA: 40.46
1,4-Benzenediol, 2,5-dimercapto- Related Literature
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
-
Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
-
Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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