| CAS Number | 200123-04-2 |
| Catalog Number | AG01BTOQ |
| Chemical Name | 1-(naphthalen-1-yl)-3-(propan-2-yl)thiourea |
| IUPAC Name | 1-naphthalen-1-yl-3-propan-2-ylthiourea |
| InChI | InChI=1S/C14H16N2S/c1-10(2)15-14(17)16-13-9-5-7-11-6-3-4-8-12(11)13/h3-10H,1-2H3,(H2,15,16,17) |
| InChI Key | GGZCNPBFWWAIHK-UHFFFAOYSA-N |
| MDL Number | MFCD00029337 |
| Molecular Formula | C14H16N2S |
| Molecular Weight | 244.3552 |
| SMILES | CC(NC(NC1=C2C(C=CC=C2)=CC=C1)=S)C |
| Synonyms | 1-Isopropyl-3-(naphthalen-1-yl)thiourea,
200123-04-2,
ZINC00071689,
CID2725132,
AC1MBG8L,
CCG-93,
SCHEMBL5448135,
ZINC71689,
N-isopropyl-N'-(1-naphthyl)thiourea,
AKOS003713224,
MCULE-7050796966,
1-naphthalen-1-yl-3-propan-2-ylthiourea,
|
| Complexity | 265 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 244.103g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 244.356g/mol |
| Monoisotopic Mass | 244.103g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 56.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number