| CAS Number | 1024490-13-8 |
| Catalog Number | AG00OT89(AGN-PC-0WBQ4H) |
| Chemical Name | 4-(propan-2-yl)-1,3-benzothiazol-2-amine |
| IUPAC Name | 4-propan-2-yl-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C10H12N2S/c1-6(2)7-4-3-5-8-9(7)12-10(11)13-8/h3-6H,1-2H3,(H2,11,12) |
| InChI Key | GRUGSZVVRNGXOX-UHFFFAOYSA-N |
| MDL Number | MFCD04971838 |
| Molecular Formula | C10H12N2S |
| Molecular Weight | 192.2807 |
| SMILES | CC(C1=C2C(SC(=N2)N)=CC=C1)C |
| Synonyms | 4-isopropylbenzo[d]thiazol-2-amine,
1024490-13-8,
AC1NPO7K,
SCHEMBL14445628,
4-Isopropyl-benzothiazol-2-ylamine,
ZINC20432686,
AKOS000111717,
MCULE-9068547987,
4-propan-2-yl-1,3-benzothiazol-2-amine,
4-(propan-2-yl)-1,3-benzothiazol-2-amine,
BB 0246288,
L-2967,
F1911-0003,
4-propan-2-ylbenzothiazol-2-amine,
CID5161639,
|
| Complexity | 184 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 192.072g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 13 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 192.28g/mol |
| Monoisotopic Mass | 192.072g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 67.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number