| CAS Number | 721418-85-5 |
| Catalog Number | AG019HPQ |
| Chemical Name | 5-methyl-N-[4-(propan-2-yl)phenyl]-1,3-thiazolidin-2-imine |
| IUPAC Name | 5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine |
| InChI | InChI=1S/C13H18N2S/c1-9(2)11-4-6-12(7-5-11)15-13-14-8-10(3)16-13/h4-7,9-10H,8H2,1-3H3,(H,14,15) |
| InChI Key | IYNRNHQPHMUBKD-UHFFFAOYSA-N |
| MDL Number | MFCD26143507 |
| Molecular Formula | C13H18N2S |
| Molecular Weight | 234.3604 |
| SMILES | CC(C1=CC=C(N=C2SC(C)CN2)C=C1)C |
| Synonyms | 5-methyl-N-[4-(propan-2-yl)phenyl]-1,3-thiazolidin-2-imine,
721418-85-5,
(4-Isopropyl-phenyl)-(5-methyl-thiazolidin-2-ylidene)-amine,
Enamine_004459,
AC1NFH5K,
AC1Q1OJT,
CTK6C3530,
HMS1406K15,
AKOS008946589,
NE27533,
EN300-04312,
Z48963834,
5-methyl-N-(4-propan-2-ylphenyl)-4,5-dihydro-1,3-thiazol-2-amine,
ZINC03280992,
CID4658496,
|
| Complexity | 255 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 234.119g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 2 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 234.361g/mol |
| Monoisotopic Mass | 234.119g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 49.7A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.3 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number