| CAS Number | 930396-11-5 |
| Catalog Number | AG019WEH |
| Chemical Name | [3-(propan-2-yl)phenyl]thiourea |
| IUPAC Name | (3-propan-2-ylphenyl)thiourea |
| InChI | InChI=1S/C10H14N2S/c1-7(2)8-4-3-5-9(6-8)12-10(11)13/h3-7H,1-2H3,(H3,11,12,13) |
| InChI Key | CJRMVACTTSWWMF-UHFFFAOYSA-N |
| MDL Number | MFCD09702298 |
| Molecular Formula | C10H14N2S |
| Molecular Weight | 194.2966 |
| SMILES | CC(C1=CC(NC(N)=S)=CC=C1)C |
| Synonyms | [3-(propan-2-yl)phenyl]thiourea,
930396-11-5,
1-(3-isopropylphenyl)thiourea,
3-Isopropylphenylthiourea,
AC1Q1OHY,
SCHEMBL1883462,
CTK8F2461,
CJRMVACTTSWWMF-UHFFFAOYSA-N,
ZINC12505973,
AKOS009140788,
MCULE-9456844771,
NE14287,
EN300-51684,
Z271134324,
|
| Complexity | 180 |
| 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 | 2 |
| Topological Polar Surface Area | 70.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.7 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number