Cas no 296277-04-8 (Thiourea,N-[(2-ethoxyphenyl)methyl]-)
296277-04-8 structure
Product Name:Thiourea,N-[(2-ethoxyphenyl)methyl]-
CAS No:296277-04-8
MF:C10H14N2OS
MW:210.295960903168
CID:249225
PubChem ID:45094204
Update Time:2025-04-19
Thiourea,N-[(2-ethoxyphenyl)methyl]- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea,N-[(2-ethoxyphenyl)methyl]-
- Thiourea,[(2-ethoxyphenyl)methyl]- (9CI)
- (2-ethoxyphenyl)methylthiourea
- 296277-04-8
- DTXSID90667262
- N-[(2-Ethoxyphenyl)methyl]thiourea
- Thiourea, [(2-ethoxyphenyl)methyl]- (9CI)
-
- Inchi: 1S/C10H14N2OS/c1-2-13-9-6-4-3-5-8(9)7-12-10(11)14/h3-6H,2,7H2,1H3,(H3,11,12,14)
- InChI Key: QSBNJCAZDHAMLM-UHFFFAOYSA-N
- SMILES: S=C(N)NCC1C=CC=CC=1OCC
Computed Properties
- Exact Mass: 210.08282
- Monoisotopic Mass: 210.083
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 14
- Rotatable Bond Count: 4
- Complexity: 187
- 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: 79.4A^2
- XLogP3: 1.4
Experimental Properties
- PSA: 47.28
Thiourea,N-[(2-ethoxyphenyl)methyl]- Related Literature
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Priyambada Nayak,Tanmaya Badapanda,Anil Kumar Singh,Simanchalo Panigrahi RSC Adv., 2017,7, 16319-16331
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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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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Hamid Heydari,Mohammad B. Gholivand New J. Chem., 2017,41, 237-244
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