Cas no 61290-56-0 (Thiourea, N-[(3,4-dimethoxyphenyl)methyl]-N'-(3-hydroxypropyl)-)
61290-56-0 structure
Product Name:Thiourea, N-[(3,4-dimethoxyphenyl)methyl]-N'-(3-hydroxypropyl)-
CAS No:61290-56-0
MF:C13H20N2O3S
MW:284.374502182007
CID:485676
PubChem ID:12622973
Update Time:2025-04-19
Thiourea, N-[(3,4-dimethoxyphenyl)methyl]-N'-(3-hydroxypropyl)- Chemical and Physical Properties
Names and Identifiers
-
- Thiourea, N-[(3,4-dimethoxyphenyl)methyl]-N'-(3-hydroxypropyl)-
- 1-[(3,4-dimethoxyphenyl)methyl]-3-(3-hydroxypropyl)thiourea
- N-[(3,4-Dimethoxyphenyl)methyl]-N'-(3-hydroxypropyl)thiourea
- 61290-56-0
- DTXSID90504709
-
- Inchi: 1S/C13H20N2O3S/c1-17-11-5-4-10(8-12(11)18-2)9-15-13(19)14-6-3-7-16/h4-5,8,16H,3,6-7,9H2,1-2H3,(H2,14,15,19)
- InChI Key: DHFAQFQASCPNBZ-UHFFFAOYSA-N
- SMILES: S=C(NCCCO)NCC1C=CC(=C(C=1)OC)OC
Computed Properties
- Exact Mass: 284.1196
- Monoisotopic Mass: 284.11946368g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 3
- Hydrogen Bond Acceptor Count: 4
- Heavy Atom Count: 19
- Rotatable Bond Count: 7
- Complexity: 266
- 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: 0.7
- Topological Polar Surface Area: 94.8?2
Experimental Properties
- PSA: 62.75
Thiourea, N-[(3,4-dimethoxyphenyl)methyl]-N'-(3-hydroxypropyl)- Related Literature
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M. Sheykhan,S. Khani,S. Shaabanzadeh,M. Joafshan Green Chem., 2017,19, 5940-5948
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Stephen P. Fletcher,Richard B. C. Jagt,Ben L. Feringa Chem. Commun., 2007, 2578-2580
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4. An all-solid-state imprinted polymer-based potentiometric sensor for determination of bisphenol S?Rongning Liang,Tanji Yin,Ruiqing Yao,Wei Qin RSC Adv., 2016,6, 73308-73312
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