Basic information
- CAS
94159-71-4- Standard SMILES
NC(=S)NC(=O)CC1CCCCO1- InChIKey
ILSNRHVMUXJHGR-UHFFFAOYSA-N- Molecular formula
- C8H14N2O2S
- Average molar mass
- 202.28 g/mol
- Monoisotopic mass
- 202.07759887
Names & identifiers
- Preferred name
- 1-Acetyl-2-(tetrahydro-2H-pyran-2-yl)isothiourea
- IUPAC
- N-carbamothioyl-2-(oxan-2-yl)acetamide
Names & synonyms
94159-71-41-Acetyl-2-(tetrahydro-2H-pyran-2-yl)isothioureaEINECS 303-251-7DTXSID80916236ILSNRHVMUXJHGR-UHFFFAOYSA-NN-[Imino(sulfanyl)methyl](oxan-2-yl)ethanimidic acidN-[Imino(sulfanyl)methyl]-2-(oxan-2-yl)ethanimidic acid
Database identifiers
- CAS
94159-71-4- PubChem CID
- 44153276
- DTXSID
DTXSID80916236- EC Number
- 303-251-7
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 96.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 208
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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