Basic information
- CAS
61367-31-5- Standard SMILES
CC1SCC(=NO)CS1- InChIKey
OUZWFENJUSTURB-UHFFFAOYSA-N- Molecular formula
- C5H9NOS2
- Average molar mass
- 163.3 g/mol
- Monoisotopic mass
- 163.01255626
Names & identifiers
- Preferred name
- 1,3-Dithian-5-one, 2-methyl-, oxime
- IUPAC
- N-(2-methyl-1,3-dithian-5-ylidene)hydroxylamine
Names & synonyms
1,3-Dithian-5-one, 2-methyl-, oximeN-(2-methyl-1,3-dithian-5-ylidene)hydroxylamine61367-31-5NSC176961Maybridge1_003084HMS550E04DTXSID80306496CCG-52392NSC-176961DS-001812SR-01000641631-1
Database identifiers
- CAS
61367-31-5- PubChem CID
- 301031
- DTXSID
DTXSID80306496
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 83.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 116
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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