| CAS Number | 835910-55-9 |
| Catalog Number | AG01B67T |
| Chemical Name | [4-(4-Fluorophenyl)-1,3-thiazol-2-yl]thiourea |
| IUPAC Name | [4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiourea |
| InChI | InChI=1S/C10H8FN3S2/c11-7-3-1-6(2-4-7)8-5-16-10(13-8)14-9(12)15/h1-5H,(H3,12,13,14,15) |
| InChI Key | ZJSINLGHXCKKIX-UHFFFAOYSA-N |
| MDL Number | MFCD03687225 |
| Molecular Formula | C10H8FN3S2 |
| Molecular Weight | 253.319 |
| SMILES | NC(NC1SC=C(C2=CC=C(F)C=C2)N=1)=S |
| Synonyms | [4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiourea,
835910-55-9,
AC1LIF6S,
C10H8FN3S2,
ZINC521191,
STL240723,
AKOS025279233,
MCULE-9685365685,
1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]thiourea,
CID930152,
ZINC00521191,
|
| Complexity | 256 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 253.014g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 253.313g/mol |
| Monoisotopic Mass | 253.014g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 111A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
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Certificate of Analysis
Lot Number