Cas no 942-85-8 (Benzenecarbodithioic acid, 4-methoxy-, ethyl ester)
942-85-8 structure
Product Name:Benzenecarbodithioic acid, 4-methoxy-, ethyl ester
CAS No:942-85-8
MF:C10H12OS2
MW:212.331680297852
CID:752347
PubChem ID:592193
Update Time:2025-04-19
Benzenecarbodithioic acid, 4-methoxy-, ethyl ester Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbodithioic acid, 4-methoxy-, ethyl ester
- 4-Methoxydithiobenzoic acid ethyl ester
- ethyl 4-methoxybenzenecarbodithioate
- Ethyl 4-methoxybenzenecarbodithioate #
- 942-85-8
- p-Anisic acid, dithio-, ethyl ester
- KCZXCBZHGXIJNO-UHFFFAOYSA-N
- SCHEMBL10908525
- DTXSID20343789
-
- Inchi： 1S/C10H12OS2/c1-3-13-10(12)8-4-6-9(11-2)7-5-8/h4-7H,3H2,1-2H3
- InChI Key： KCZXCBZHGXIJNO-UHFFFAOYSA-N
- SMILES： S(CC)C(C1C=CC(=CC=1)OC)=S
Computed Properties
- Exact Mass: 212.03295735g/mol
- Monoisotopic Mass: 212.03295735g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 13
- Rotatable Bond Count: 4
- Complexity: 162
- 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: 3.5
- Topological Polar Surface Area: 66.6?2
Benzenecarbodithioic acid, 4-methoxy-, ethyl ester Related Literature
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Inês S. Albuquerque,Hélia F. Jeremias,Miguel Chaves-Ferreira,Dijana Matak-Vinkovic,Omar Boutureira,Carlos C. Rom?o Chem. Commun., 2015,51, 3993-3996
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Siquan Zhang,Shengyao Wang,Liping Guo,Hao Chen,Bien Tan,Shangbin Jin J. Mater. Chem. C, 2020,8, 192-200
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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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Chongyang Zhu,Xiaojia Bian,Xin Jia,Ning Tang,Yongqiang Cheng Food Funct., 2020,11, 10635-10644
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Suji Lee,Min Su Han Chem. Commun., 2021,57, 9450-9453
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