Cas no 111509-53-6 (1H-Indole-4-thiol, 1-[(4-methylphenyl)sulfonyl]-)
![1H-Indole-4-thiol, 1-[(4-methylphenyl)sulfonyl]- structure](https://ossimg.kuujia.com/scimg/112000/111509-53-6x500.png)
111509-53-6 structure
Product Name:1H-Indole-4-thiol, 1-[(4-methylphenyl)sulfonyl]-
CAS No:111509-53-6
MF:C15H13NO2S2
MW:303.39922118187
CID:1198251
PubChem ID:13927713
Update Time:2025-04-20
1H-Indole-4-thiol, 1-[(4-methylphenyl)sulfonyl]- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Indole-4-thiol, 1-[(4-methylphenyl)sulfonyl]-
- 1-(4-methylphenyl)sulfonylindole-4-thiol
- DTXSID80552658
- 111509-53-6
- 1-(4-Methylbenzene-1-sulfonyl)-1H-indole-4-thiol
-
- Inchi： 1S/C15H13NO2S2/c1-11-5-7-12(8-6-11)20(17,18)16-10-9-13-14(16)3-2-4-15(13)19/h2-10,19H,1H3
- InChI Key： CGLPYJRBQSTERP-UHFFFAOYSA-N
- SMILES： S(C1C=CC(C)=CC=1)(N1C=CC2C(=CC=CC1=2)S)(=O)=O
Computed Properties
- Exact Mass: 303.03889
- Monoisotopic Mass: 303.03877100g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 20
- Rotatable Bond Count: 2
- Complexity: 437
- 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: 3.7
- Topological Polar Surface Area: 48.4?2
Experimental Properties
- PSA: 39.07
1H-Indole-4-thiol, 1-[(4-methylphenyl)sulfonyl]- Related Literature
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1. Fatty acid eutectic mixtures and derivatives from non-edible animal fat as phase change materials?Pau Gallart-Sirvent,Marc Martín,Gemma Villorbina,Mercè Balcells,Aran Solé,Luisa F. Cabeza,Ramon Canela-Garayoa RSC Adv., 2017,7, 24133-24139
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Gaurav J. Shah,Eric P.-Y. Chiou,Ming C. Wu,Chang-Jin “CJ” Kim Lab Chip, 2009,9, 1732-1739
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Joseph H. Bisesi,Tara Sabo-Attwood Environ. Sci.: Nano, 2014,1, 574-583
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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