| CAS Number | 1032463-93-6 |
| Catalog Number | AG01AB82(AGN-PC-0WODC7) |
| Chemical Name | 5-(2-Phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine |
| IUPAC Name | 5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine |
| InChI | InChI=1S/C11H13N3S/c1-11(2,8-6-4-3-5-7-8)9-13-14-10(12)15-9/h3-7H,1-2H3,(H2,12,14) |
| InChI Key | PALMDNYJOLXCLN-UHFFFAOYSA-N |
| MDL Number | MFCD12104390 |
| Molecular Formula | C11H13N3S |
| Molecular Weight | 219.3060 |
| SMILES | CC(C1=CC=CC=C1)(C1SC(N)=NN=1)C |
| Synonyms | 5-(2-phenylpropan-2-yl)-1,3,4-thiadiazol-2-amine,
1032463-93-6,
5-(1-methyl-1-phenylethyl)-1,3,4-thiadiazol-2-amine,
AC1Q1NIV,
SCHEMBL2539001,
PALMDNYJOLXCLN-UHFFFAOYSA-N,
ZINC36870628,
AKOS009838526,
MCULE-4980491502,
NE28572,
FT-0753874,
EN300-70747,
Z1263820357,
|
| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 219.083g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 219.306g/mol |
| Monoisotopic Mass | 219.083g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 80A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.9 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number