| CAS Number | 1105194-60-2 |
| Catalog Number | AG01ARMI(AGN-PC-0WCNUY) |
| Chemical Name | 4-(methylsulfanyl)-1,3-benzothiazol-2-amine |
| IUPAC Name | 4-methylsulfanyl-1,3-benzothiazol-2-amine |
| InChI | InChI=1S/C8H8N2S2/c1-11-5-3-2-4-6-7(5)10-8(9)12-6/h2-4H,1H3,(H2,9,10) |
| InChI Key | BPFNFLNMAZXZRJ-UHFFFAOYSA-N |
| MDL Number | MFCD11986737 |
| Molecular Formula | C8H8N2S2 |
| Molecular Weight | 196.2925 |
| SMILES | CSC1C2=C(C=CC=1)SC(N)=N2 |
| Synonyms | 4-(methylthio)-1,3-benzothiazol-2-amine,
1105194-60-2,
4-(methylsulfanyl)-1,3-benzothiazol-2-amine,
ZINC26422407,
AKOS005208296,
MCULE-9492105459,
L-2650,
F2146-0099,
|
| Complexity | 165 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 196.013g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 196.286g/mol |
| Monoisotopic Mass | 196.013g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.4A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.5 |
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Certificate of Analysis
Lot Number