2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid
Basic information
- CAS
18464-50-1- Standard SMILES
NC(=O)CN1Cc2ccccc2OC1=S- InChIKey
PTEOKRZZXJSXLJ-UHFFFAOYSA-N- Molecular formula
- C10H10N2O2S
- Average molar mass
- 222.27 g/mol
- Monoisotopic mass
- 222.04629874
Names & identifiers
- Preferred name
- 2-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid
- IUPAC
- 2-(2-sulfanylidene-4H-1,3-benzoxazin-3-yl)acetamide
Names & synonyms
18464-50-1DTXSID009398612-(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acidRefChem:1060950DTXCID5013683472-Thioxo-2H-1,3-benzoxazine-3(4H)-acetamideBRN 1216830BRN 11206832H-1,3-Benzoxazine-3(4H)-acetamide, 2-thioxo-2-Oxo-3,4-dihydro-2H-1,3-benzoxazine-3-thioacetamide2H-1,3-BENZOXAZINE-3(4H)-ACETAMIDE, 2-OXOTHIO-18464-51-2
Show more names
(2-Sulfanylidene-2H-1,3-benzoxazin-3(4H)-yl)ethanimidic acid
Database identifiers
- CAS
18464-50-1、18464-51-2- PubChem CID
- 29085
- DTXSID
DTXSID00939861
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 87.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 283
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Compound notes
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