Cas no 60759-01-5 (Benzenecarbothioamide, 3-ethoxy-4-propoxy-)
60759-01-5 structure
Product Name:Benzenecarbothioamide, 3-ethoxy-4-propoxy-
CAS No:60759-01-5
MF:C12H17NO2S
MW:239.33388209343
CID:1621124
PubChem ID:7745253
Update Time:2025-04-21
Benzenecarbothioamide, 3-ethoxy-4-propoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbothioamide, 3-ethoxy-4-propoxy-
- 3-ethoxy-4-propoxybenzenecarbothioamide
- 60759-01-5
- AKOS002669661
- DTXSID50428912
-
- Inchi: 1S/C12H17NO2S/c1-3-7-15-10-6-5-9(12(13)16)8-11(10)14-4-2/h5-6,8H,3-4,7H2,1-2H3,(H2,13,16)
- InChI Key: HXBLGWGNNARSRA-UHFFFAOYSA-N
- SMILES: S=C(C1C=CC(=C(C=1)OCC)OCCC)N
Computed Properties
- Exact Mass: 239.09811
- Monoisotopic Mass: 239.09799996g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 16
- Rotatable Bond Count: 6
- Complexity: 223
- 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: 76.6?2
Experimental Properties
- PSA: 44.48
Benzenecarbothioamide, 3-ethoxy-4-propoxy- Related Literature
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M. Zeiger,N. J?ckel,P. Strubel,L. Borchardt,R. Reinhold,W. Nickel,J. Eckert,V. Presser,S. Kaskel J. Mater. Chem. A, 2015,3, 17983-17990
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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