Cas no 103931-15-3 (1,2-Benzenediol,3-(methylthio)-)
103931-15-3 structure
Product Name:1,2-Benzenediol,3-(methylthio)-
CAS No:103931-15-3
MF:C7H8O2S
MW:156.202220916748
CID:211654
PubChem ID:124864
Update Time:2025-04-19
1,2-Benzenediol,3-(methylthio)- Chemical and Physical Properties
Names and Identifiers
-
- 1,2-Benzenediol,3-(methylthio)-
- 3-(methylthio)catechol
- 3-methylsulfanylbenzene-1,2-diol
- 3-(methylsulfanyl)benzene-1,2-diol
- 3-MTC
- 103931-15-3
- SCHEMBL2834212
- DTXSID90146148
-
- Inchi: 1S/C7H8O2S/c1-10-6-4-2-3-5(8)7(6)9/h2-4,8-9H,1H3
- InChI Key: SKTUJGHAQHSAEC-UHFFFAOYSA-N
- SMILES: S(C)C1C=CC=C(C=1O)O
Computed Properties
- Exact Mass: 156.02454
- Monoisotopic Mass: 156.0245
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 108
- 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
- Surface Charge: 0
- Tautomer Count: 10
- XLogP3: 1.7
- Topological Polar Surface Area: 65.8
Experimental Properties
- Density: 1.36
- Boiling Point: 270.6°Cat760mmHg
- Flash Point: 132.1°C
- Refractive Index: 1.661
- PSA: 40.46
- LogP: 1.81970
1,2-Benzenediol,3-(methylthio)- Related Literature
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Xiang Liu,Qian Sun,A. B. Djuri?i?,Maohai Xie,Baohu Dai,Jinyao Tang,Charles Surya,Changzhong Liao,Kaimin Shih RSC Adv., 2015,5, 100783-100789
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Mark D. Allendorf,Alauddin Ahmed,Tom Autrey,Jeffrey Camp,Eun Seon Cho,Maciej Haranczyk,Abhi Karkamkar,Di-Jia Liu,Katie R. Meihaus,Iffat H. Nayyar,Roman Nazarov,Donald J. Siegel,Vitalie Stavila,Jeffrey J. Urban,Srimukh Prasad Veccham,Brandon C. Wood Energy Environ. Sci., 2018,11, 2784-2812
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Kanjun Sun,Fengting Hua,Shuzhen Cui,Yanrong Zhu,Hui Peng,Guofu Ma RSC Adv., 2021,11, 37631-37642
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Eunhak Lim,Jiyoung Heo,Seong Keun Kim Nanoscale, 2019,11, 11369-11378
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