Cas no 52532-52-2 (4-anisidine-2-ss-hydroxyethyl sulfone sulfate ester)
52532-52-2 structure
Product Name:4-anisidine-2-ss-hydroxyethyl sulfone sulfate ester
CAS No:52532-52-2
MF:C9H13NO7S2
MW:311.332020521164
CID:937068
PubChem ID:53941528
Update Time:2025-04-19
4-anisidine-2-ss-hydroxyethyl sulfone sulfate ester Chemical and Physical Properties
Names and Identifiers
-
- 4-anisidine-2-ss-hydroxyethyl sulfone sulfate ester
- 2-[(5-Amino-2-methoxyphenyl)-sulfonyl]-ethyl hydrogen sulfate
- 4-ANISIDINE-2-B-HYDROXYETHYL SULFONE SULFATE ESTER
- 4-ANISIDINE-2-B-HYDROXYETHYLSULFONE SULFATE
- 4-Anisidine-2--hydroxyethyl sulfone sulfate ester
- DB-226964
- 2-[(5-AMINO-2-METHOXYPHENYL)SULFONYL]ETHYL HYDROGEN SULFATE
- SCHEMBL6938609
- 52532-52-2
-
- Inchi： 1S/C9H13NO7S2/c1-16-8-3-2-7(10)6-9(8)18(11,12)5-4-17-19(13,14)15/h2-3,6H,4-5,10H2,1H3,(H,13,14,15)
- InChI Key： IYCQPSBMWVFILT-UHFFFAOYSA-N
- SMILES： S(C1C=C(C=CC=1OC)N)(CCOS(=O)(=O)O)(=O)=O
Computed Properties
- Exact Mass: 311.01300
- Monoisotopic Mass: 311.01334410g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 8
- Heavy Atom Count: 19
- Rotatable Bond Count: 6
- Complexity: 476
- 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: -0.6
- Topological Polar Surface Area: 150?2
Experimental Properties
- PSA: 149.75000
- LogP: 2.61330
4-anisidine-2-ss-hydroxyethyl sulfone sulfate ester Related Literature
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Gerald J. Meyer,Leif Hammarstr?m Chem. Sci., 2020,11, 3460-3473
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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