| CAS Number | 1152515-60-0 |
| Catalog Number | AG01AAWE |
| Chemical Name | [1-(2,4-Dichlorophenyl)ethyl]thiourea |
| IUPAC Name | 1-(2,4-dichlorophenyl)ethylthiourea |
| InChI | InChI=1S/C9H10Cl2N2S/c1-5(13-9(12)14)7-3-2-6(10)4-8(7)11/h2-5H,1H3,(H3,12,13,14) |
| InChI Key | TZOJBQPAHVWAOP-UHFFFAOYSA-N |
| MDL Number | MFCD10688722 |
| Molecular Formula | C9H10Cl2N2S |
| Molecular Weight | 249.1601 |
| SMILES | CC(C1=C(Cl)C=C(Cl)C=C1)NC(N)=S |
| Synonyms | [1-(2,4-dichlorophenyl)ethyl]thiourea,
1152515-60-0,
AC1Q2BLS,
NE24206,
EN300-69771,
|
| Complexity | 213 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 247.994g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 14 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 249.153g/mol |
| Monoisotopic Mass | 247.994g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
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Certificate of Analysis
Lot Number