| CAS Number | 1803587-80-5 |
| Catalog Number | AG01BF88 |
| Chemical Name | 3-hydrazinyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene hydrochloride |
| IUPAC Name | 5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-ylhydrazine;hydrochloride |
| InChI | InChI=1S/C10H12N4S.ClH/c11-14-9-8-6-3-1-2-4-7(6)15-10(8)13-5-12-9;/h5H,1-4,11H2,(H,12,13,14);1H |
| InChI Key | LKXWAFNJCFZCEJ-UHFFFAOYSA-N |
| MDL Number | MFCD28118521 |
| Molecular Formula | C10H13ClN4S |
| Molecular Weight | 256.7550 |
| SMILES | Cl.NNC1=C2C(SC3=C2CCCC3)=NC=N1 |
| Synonyms | 3-hydrazinyl-8-thia-4,6-diazatricyclo[7.4.0.0,2,7]trideca-1(9),2,4,6-tetraene hydrochloride,
1803587-80-5,
EN300-185557,
|
| Complexity | 238 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 256.055g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 16 |
| Hydrogen Bond Acceptor Count | 5 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 256.752g/mol |
| Monoisotopic Mass | 256.055g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 92.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number