Basic information
- CAS
60050-95-5- Standard SMILES
O=S1(c2ccccc2)=NC(=S)Nc2ccccc21- InChIKey
JUIVJWBDXPKTJB-UHFFFAOYSA-N- Molecular formula
- C13H10N2OS2
- Average molar mass
- 274.4 g/mol
- Monoisotopic mass
- 274.02345529
Names & identifiers
- Preferred name
- Sulfoxamine
- IUPAC
- 2-oxo-2-phenyl-2λ6-thia-3,5-diazabicyclo[4.4.0]deca-1(10),2,6,8-tetraene-4-thione
Names & synonyms
NSC28747460050-95-5CHEMBL3754170SulfoxamineBenzothiadazineSCHEMBL29399813DTXSID30388207BDBM50137115NSC 287474NSC-2874741H-1,2,4-Benzothiadiazin-3(4H)-thione der.1-Phenyl-1H-1,2,4-benzothiadiazine-3(4H)-thione, 1-oxide
Show more names
1H-1,4-Benzothiadiazin-3(4H)-thione, 1-phenyl-, 1-oxide1-Phenyl-3-sulfanylidene-3,4-dihydro-1lambda~6~,2,4-benzothiadiazin-1-one5-oxo-5-phenyl-5$l^{6}-thia-2,4-diazabicyclo[4.4.0]deca-1(10),4,6,8-tetraene-3-thione
Database identifiers
- CAS
60050-95-5- PubChem CID
- 3000415
- DTXSID
DTXSID30388207- ChEMBL
CHEMBL3754170- Nikkaji
- J571.557A
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 81.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 448
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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