| CAS Number | 750614-15-4 |
| Catalog Number | AG019HL2 |
| Chemical Name | 3-Amino-1-(4-butylphenyl)thiourea |
| IUPAC Name | 1-amino-3-(4-butylphenyl)thiourea |
| InChI | InChI=1S/C11H17N3S/c1-2-3-4-9-5-7-10(8-6-9)13-11(15)14-12/h5-8H,2-4,12H2,1H3,(H2,13,14,15) |
| InChI Key | LSTINUWHSDZHIK-UHFFFAOYSA-N |
| MDL Number | MFCD03655892 |
| Molecular Formula | C11H17N3S |
| Molecular Weight | 223.3378 |
| SMILES | NNC(NC1=CC=C(C=C1)CCCC)=S |
| Synonyms | 3-amino-1-(4-butylphenyl)thiourea,
N-(4-butylphenyl)hydrazinecarbothioamide,
750614-15-4,
EN300-03843,
AC1Q2VJI,
AC1M5V6G,
CTK6D6410,
1-amino-3-(4-butylphenyl)thiourea,
ZINC3269711,
AKOS000116787,
MCULE-3175675371,
NE44866,
SR-01000035883,
SR-01000035883-1,
Z56855150,
ZINC03269711,
CID2386032,
|
| Complexity | 188 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 223.114g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 223.338g/mol |
| Monoisotopic Mass | 223.114g/mol |
| Rotatable Bond Count | 4 |
| Topological Polar Surface Area | 82.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number