| CAS Number | 1152584-89-8 |
| Catalog Number | AG01A9T3 |
| Chemical Name | 3-amino-1-[1-(2,4-dichlorophenyl)ethyl]thiourea |
| IUPAC Name | 1-amino-3-[1-(2,4-dichlorophenyl)ethyl]thiourea |
| InChI | InChI=1S/C9H11Cl2N3S/c1-5(13-9(15)14-12)7-3-2-6(10)4-8(7)11/h2-5H,12H2,1H3,(H2,13,14,15) |
| InChI Key | YKOQAYBRGFQIDN-UHFFFAOYSA-N |
| MDL Number | MFCD10690219 |
| Molecular Formula | C9H11Cl2N3S |
| Molecular Weight | 264.1747 |
| SMILES | CC(C1=C(Cl)C=C(Cl)C=C1)NC(NN)=S |
| Synonyms | 3-amino-1-[1-(2,4-dichlorophenyl)ethyl]thiourea,
EN300-66058,
1152584-89-8,
AC1Q2BLD,
AKOS005201910,
NE24066,
|
| Complexity | 227 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 263.005g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 264.168g/mol |
| Monoisotopic Mass | 263.005g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.4 |
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Certificate of Analysis
Lot Number