Cas no 41261-80-7 (Aniline-3-beta-ethyl sulfonyl sulfate-6-sulfonic acid)
41261-80-7 structure
Product Name:Aniline-3-beta-ethyl sulfonyl sulfate-6-sulfonic acid
CAS No:41261-80-7
MF:C8H11NO9S3
MW:361.369239091873
CID:55388
PubChem ID:14670426
Update Time:2025-04-18
Aniline-3-beta-ethyl sulfonyl sulfate-6-sulfonic acid Chemical and Physical Properties
Names and Identifiers
-
- Aniline-3-beta-ethyl sulfonyl sulfate-6-sulfonic acid
- 1-Aminobenzene-5-beta-sulptoethylsulfonyl-2-sulfonic acid
- Aniline-3-β-ethyl sulfonyl sulfate-6-sulfonic acid
- 1-Aminobenzene-5-β-sulptoethylsulfonyl-2-sulfonic acid
- BENZENESULFONICACID,2-AMINO-4-[[2-(SULFOOXY)ETHYL]SULFONYL]
- A-sulptoethylsulfonyl-2-Sulfonic Acid
- 41261-80-7
- Aniline-3-b-ethyl sulfonyl sulfate-6-sulfonic acid
- SCHEMBL5117068
- 1-Aminobenzene-5-
- 2-amino-4-(2-sulfooxyethylsulfonyl)benzenesulfonic acid
-
- Inchi： 1S/C8H11NO9S3/c9-7-5-6(1-2-8(7)20(12,13)14)19(10,11)4-3-18-21(15,16)17/h1-2,5H,3-4,9H2,(H,12,13,14)(H,15,16,17)
- InChI Key： DBBOIFXMBBZYJA-UHFFFAOYSA-N
- SMILES： S(C1C=CC(=C(C=1)N)S(=O)(=O)O)(CCOS(=O)(=O)O)(=O)=O
Computed Properties
- Exact Mass: 360.96000
- Monoisotopic Mass: 360.95959445g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 10
- Heavy Atom Count: 21
- Rotatable Bond Count: 6
- Complexity: 649
- 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: -0.8
- Topological Polar Surface Area: 203?2
Experimental Properties
- PSA: 203.27000
- LogP: 2.93220
Aniline-3-beta-ethyl sulfonyl sulfate-6-sulfonic acid Related Literature
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Mengke Li,Xinyi Cai,Zhenyang Qiao,Wentao Xie,Liangying Wang,Nan Zheng,Shi-Jian Su Chem. Commun., 2019,55, 7215-7218
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Muniyandi Sankaralingam,So Hyun Jeon,Yong-Min Lee,Mi Sook Seo,Wonwoo Nam Dalton Trans., 2016,45, 376-383
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
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