VUFB-12396
(3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azanium;methanesulfonate
| Molecular Formula | C15H16ClNO4S2 |
|---|---|
| Molecular Weight | 373.9 g/mol |
| Topological Polar Surface Area | 130.0 A2 |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 373.02094 |
| Heavy Atoms | 23 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 73225-74-8 |
|---|---|
| SMILES | CS(=O)(=O)[O-].C1C(C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl)[NH3+] |
| InChIKey | WSDQCVUSJCUNCN-UHFFFAOYSA-N |
📖 Product Overview
VUFB-12396 (CAS: 73225-74-8) is a chemical compound with molecular formula C15H16ClNO4S2 and molecular weight 373.9 g/mol. Its IUPAC systematic name is (3-chloro-11-oxo-5,6-dihydrobenzo[b][1]benzothiepin-6-yl)azanium;methanesulfonate.
WSDQCVUSJCUNCN-UHFFFAOYSA-N.
SMILES: CS(=O)(=O)[O-].C1C(C2=CC=CC=C2S(=O)C3=C1C=C(C=C3)Cl)[NH3+].
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