Cas no 376646-59-2 (1H-Indole-2-sulfonicacid, 2,3-dihydro-)
376646-59-2 structure
Product Name:1H-Indole-2-sulfonicacid, 2,3-dihydro-
CAS No:376646-59-2
MF:C8H9NO3S
MW:199.226960897446
CID:298176
PubChem ID:2831267
Update Time:2025-04-19
1H-Indole-2-sulfonicacid, 2,3-dihydro- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-2-sulfonicacid, 2,3-dihydro-
- 2,3-dihydro-1H-indole-2-sulfonic acid
- 2,3-DIHYDROINDOLE-2-SULFONIC ACID,
- 1H-Indole-2-sulfonicacid,2,3-dihydro
- 2,3-DICHLORO-4,4,4-TRIFLUORO-1-PHENYLBUTANE-1-ONE
- 376646-59-2
- indoline-2-sulfonic acid
- I-5100
- AKOS006274677
- CBDivE_013878
- 2,3-DIHYDROINDOLE-2-SULFONIC ACID
- SCHEMBL4215459
- DTXSID70385295
-
- Inchi： 1S/C8H9NO3S/c10-13(11,12)8-5-6-3-1-2-4-7(6)9-8/h1-4,8-9H,5H2,(H,10,11,12)
- InChI Key： YKHUYGXDWCLYDA-UHFFFAOYSA-N
- SMILES： S(C1CC2C=CC=CC=2N1)(=O)(=O)O
Computed Properties
- Exact Mass: 199.03000
- Monoisotopic Mass: 199.03031432g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 13
- Rotatable Bond Count: 1
- Complexity: 282
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1
- Topological Polar Surface Area: 74.8?2
Experimental Properties
- PSA: 74.78000
- LogP: 2.08730
1H-Indole-2-sulfonicacid, 2,3-dihydro- Related Literature
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Amandine Altmayer-Henzien,Valérie Declerck,David J. Aitken,Ewen Lescop,Denis Merlet,Jonathan Farjon Org. Biomol. Chem., 2013,11, 7611-7615
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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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Eunju Nam,Jiyeon Han,Sunhee Choi,Mi Hee Lim Chem. Commun., 2021,57, 7637-7640
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