Cas no 163597-58-8 (Benzenecarbothioamide,3-cyano-4-ethoxy-)
163597-58-8 structure
Product Name:Benzenecarbothioamide,3-cyano-4-ethoxy-
CAS No:163597-58-8
MF:C10H10N2OS
MW:206.264200687408
CID:110257
PubChem ID:45094081
Update Time:2025-04-18
Benzenecarbothioamide,3-cyano-4-ethoxy- Chemical and Physical Properties
Names and Identifiers
-
- Benzenecarbothioamide,3-cyano-4-ethoxy-
- 3-cyano-4-ethoxybenzenecarbothioamide
- Benzenecarbothioamide, 3-cyano-4-ethoxy- (9CI)
- DTXSID90667242
- 3-Cyano-4-ethoxybenzene-1-carbothioamide
- 163597-58-8
-
- Inchi： 1S/C10H10N2OS/c1-2-13-9-4-3-7(10(12)14)5-8(9)6-11/h3-5H,2H2,1H3,(H2,12,14)
- InChI Key： YFSGMNXFRDQFDP-UHFFFAOYSA-N
- SMILES： S=C(C1C=CC(=C(C#N)C=1)OCC)N
Computed Properties
- Exact Mass: 206.0515
- Monoisotopic Mass: 206.051
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 14
- Rotatable Bond Count: 3
- Complexity: 258
- 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
- Topological Polar Surface Area: 91.1A^2
- XLogP3: 1.5
Experimental Properties
- PSA: 59.04
Benzenecarbothioamide,3-cyano-4-ethoxy- Related Literature
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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Jason Wan Lab Chip, 2020,20, 4528-4538
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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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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Eric Besson,Stéphane Gastaldi,Emily Bloch,Selma Aslan,Hakim Karoui,Olivier Ouari,Micael Hardy Analyst, 2019,144, 4194-4203
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