| CAS Number | 1311315-12-4 |
| Catalog Number | AG01AHOY |
| Chemical Name | 1-[(Thiophen-2-yl)carbonyl]-1,4-diazepane hydrochloride |
| IUPAC Name | 1,4-diazepan-1-yl(thiophen-2-yl)methanone;hydrochloride |
| InChI | InChI=1S/C10H14N2OS.ClH/c13-10(9-3-1-8-14-9)12-6-2-4-11-5-7-12;/h1,3,8,11H,2,4-7H2;1H |
| InChI Key | HSCJSTISJXGVHR-UHFFFAOYSA-N |
| MDL Number | MFCD18785553 |
| Molecular Formula | C10H15ClN2OS |
| Molecular Weight | 246.7569 |
| SMILES | Cl.O=C(C1SC=CC=1)N1CCNCCC1 |
| Synonyms | 1-(thiophene-2-carbonyl)-1,4-diazepane hydrochloride,
1311315-12-4,
1-[(thiophen-2-yl)carbonyl]-1,4-diazepane hydrochloride,
AKOS008060529,
MCULE-5480464554,
NE39126,
EN300-75365,
Z1182322734,
|
| Complexity | 210 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 246.059g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 246.753g/mol |
| Monoisotopic Mass | 246.059g/mol |
| Rotatable Bond Count | 1 |
| Topological Polar Surface Area | 60.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number