| CAS Number | 723332-86-3 |
| Catalog Number | AG019HUR |
| Chemical Name | 3-Amino-3-benzyl-1-(3,4-dichlorophenyl)thiourea |
| IUPAC Name | 1-amino-1-benzyl-3-(3,4-dichlorophenyl)thiourea |
| InChI | InChI=1S/C14H13Cl2N3S/c15-12-7-6-11(8-13(12)16)18-14(20)19(17)9-10-4-2-1-3-5-10/h1-8H,9,17H2,(H,18,20) |
| InChI Key | CSZPZXHGANOWNS-UHFFFAOYSA-N |
| MDL Number | MFCD03960524 |
| Molecular Formula | C14H13Cl2N3S |
| Molecular Weight | 326.2441 |
| SMILES | NN(C(NC1=CC(Cl)=C(Cl)C=C1)=S)CC1=CC=CC=C1 |
| Synonyms | 3-amino-3-benzyl-1-(3,4-dichlorophenyl)thiourea,
723332-86-3,
1-benzyl-N-(3,4-dichlorophenyl)hydrazinecarbothioamide,
AC1Q54OP,
MLS001177884,
AC1M6J52,
CHEMBL1399232,
CTK8A7244,
ZINC3257510,
AKOS034463134,
MCULE-6888561187,
NE54518,
SMR000591093,
EN300-04743,
1-amino-1-benzyl-3-(3,4-dichlorophenyl)thiourea,
Z56876406,
ZINC03257510,
CID2374189,
|
| Complexity | 324 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 325.021g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 20 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 326.239g/mol |
| Monoisotopic Mass | 325.021g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 73.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number