| CAS Number | 1251208-53-3 |
| Catalog Number | AG01A08A |
| Chemical Name | (2-Propylphenyl)thiourea |
| IUPAC Name | (2-propylphenyl)thiourea |
| InChI | InChI=1S/C10H14N2S/c1-2-5-8-6-3-4-7-9(8)12-10(11)13/h3-4,6-7H,2,5H2,1H3,(H3,11,12,13) |
| InChI Key | ZMXBZOYQCPSOHQ-UHFFFAOYSA-N |
| MDL Number | MFCD14682804 |
| Molecular Formula | C10H14N2S |
| Molecular Weight | 194.2966 |
| SMILES | CCCC1=C(NC(N)=S)C=CC=C1 |
| Synonyms | (2-propylphenyl)thiourea,
1251208-53-3,
SCHEMBL6920737,
ZINC49558023,
AKOS010776024,
MCULE-6630670382,
NE43837,
Z1525650009,
|
| Complexity | 170 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 194.088g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 194.296g/mol |
| Monoisotopic Mass | 194.088g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number