Cas no 80163-14-0 (1-o,3-o-dimethyl Benzene-1,3-dicarbothioate)
80163-14-0 structure
Product Name:1-o,3-o-dimethyl Benzene-1,3-dicarbothioate
CAS No:80163-14-0
MF:C10H10O2S2
MW:226.315200328827
CID:985183
PubChem ID:327749
Update Time:2025-04-20
1-o,3-o-dimethyl Benzene-1,3-dicarbothioate Chemical and Physical Properties
Names and Identifiers
-
- 1-o,3-o-dimethyl Benzene-1,3-dicarbothioate
- AC1L716T
- NSC304083
- NSC-304083
- DTXSID40316516
- O~1~,O~3~-Dimethyl benzene-1,3-dicarbothioate
- 80163-14-0
-
- Inchi： 1S/C10H10O2S2/c1-11-9(13)7-4-3-5-8(6-7)10(14)12-2/h3-6H,1-2H3
- InChI Key： HCLAQZIDWISRDC-UHFFFAOYSA-N
- SMILES： S=C(C1C=CC=C(C(OC)=S)C=1)OC
Computed Properties
- Exact Mass: 226.01200
- Monoisotopic Mass: 226.01222190g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 206
- 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: 2.8
- Topological Polar Surface Area: 82.6?2
Experimental Properties
- PSA: 82.64000
- LogP: 2.33040
1-o,3-o-dimethyl Benzene-1,3-dicarbothioate Related Literature
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Andre Prates Pereira,Tao Dong,Eric P. Knoshaug,Nick Nagle,Ryan Spiller,Bonnie Panczak,Christopher J. Chuck,Philip T. Pienkos Sustainable Energy Fuels, 2020,4, 3400-3408
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Bidou Wang,Xifeng Chen Analyst, 2014,139, 5695-5699
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Luis Miguel Azofra,Douglas R. MacFarlane,Chenghua Sun Chem. Commun., 2016,52, 3548-3551
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Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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