| CAS Number | 901375-61-9 |
| Catalog Number | AG019KWX |
| Chemical Name | (3-Ethylphenyl)thiourea |
| IUPAC Name | (3-ethylphenyl)thiourea |
| InChI | InChI=1S/C9H12N2S/c1-2-7-4-3-5-8(6-7)11-9(10)12/h3-6H,2H2,1H3,(H3,10,11,12) |
| InChI Key | FNHWAKASGNKIDD-UHFFFAOYSA-N |
| MDL Number | MFCD00060453 |
| Molecular Formula | C9H12N2S |
| Molecular Weight | 180.2700 |
| SMILES | CCC1=CC(NC(N)=S)=CC=C1 |
| Synonyms | (3-ethylphenyl)thiourea,
901375-61-9,
AKOS009140804,
MCULE-4459957711,
NE19794,
SC-64651,
EN300-28856,
Z271134332,
N-(3-Ethylphenyl)thiourea,
(3-Ethyl-phenyl)-thiourea,
3-Ethylphenylthiourea,
AC1Q2TCF,
SCHEMBL1887849,
CTK6D2004,
FNHWAKASGNKIDD-UHFFFAOYSA-N,
ZINC2169703,
|
| Complexity | 159 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 180.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 180.269g/mol |
| Monoisotopic Mass | 180.072g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number