1-(2-Aminoethyl)-3-phenylthiourea - CAS 31090-77-4
Catalog: |
BB020797 |
Product Name: |
1-(2-Aminoethyl)-3-phenylthiourea |
CAS: |
31090-77-4 |
Synonyms: |
1-(2-aminoethyl)-3-phenylthiourea; 1-(2-aminoethyl)-3-phenylthiourea |
IUPAC Name: | 1-(2-aminoethyl)-3-phenylthiourea |
Description: | 1-(2-Aminoethyl)-3-phenylthiourea (CAS# 31090-77-4 ) is a useful research chemical. |
Molecular Weight: | 195.28 |
Molecular Formula: | C9H13N3S |
Canonical SMILES: | C1=CC=C(C=C1)NC(=S)NCCN |
InChI: | InChI=1S/C9H13N3S/c10-6-7-11-9(13)12-8-4-2-1-3-5-8/h1-5H,6-7,10H2,(H2,11,12,13) |
InChI Key: | SASBDWJDZUQEAL-UHFFFAOYSA-N |
Boiling Point: | 316.8 ℃ at 760 mmHg |
Density: | 1.225 g/cm3 |
LogP: | 2.11630 |
Publication Number | Title | Priority Date |
WO-2012004549-A1 | Phenoxypropanol derivatives and their use in treating cardiac and cardiovascular diseases | 20100705 |
EP-1971600-A1 | Isoxazole derivatives and use thereof | 20051230 |
EP-1971600-B1 | Isoxazole derivatives and use thereof | 20051230 |
US-2009131336-A1 | Isoxazole Derivatives and Use Thereof | 20051230 |
WO-2007078113-A1 | Isoxazole derivatives and use thereof | 20051230 |
Complexity: | 155 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 195.0830186 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 3 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 195.0830186 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 82.2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 0.1 |
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