| CAS Number | 81050-04-6 |
| Catalog Number | AG019KWY(AGN-PC-05FBZP) |
| Chemical Name | N-[2-(4-METHOXYPHENYL)ETHYL]THIOUREA |
| IUPAC Name | 2-(4-methoxyphenyl)ethylthiourea |
| InChI | InChI=1S/C10H14N2OS/c1-13-9-4-2-8(3-5-9)6-7-12-10(11)14/h2-5H,6-7H2,1H3,(H3,11,12,14) |
| InChI Key | FIBKIDVNZWJBGQ-UHFFFAOYSA-N |
| MDL Number | MFCD11099391 |
| Molecular Formula | C10H14N2OS |
| Molecular Weight | 210.2960 |
| SMILES | COC1=CC=C(CCNC(N)=S)C=C1 |
| Synonyms | N-[2-(4-methoxyphenyl)ethyl]thiourea,
[2-(4-methoxyphenyl)ethyl]thiourea,
81050-04-6,
AC1Q4CKE,
CTK7A3773,
ZINC20368530,
AKOS009144263,
NE27605,
EN300-28858,
|
| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 210.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 210.295g/mol |
| Monoisotopic Mass | 210.083g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 79.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.5 |
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Certificate of Analysis
Lot Number