Basic information
- CAS
790188-52-2- Standard SMILES
CCC1(C)OCC(CSC(=N)N)O1- InChIKey
RXZLZYPRCHRNQH-UHFFFAOYSA-N- Molecular formula
- C8H16N2O2S
- Average molar mass
- 204.29 g/mol
Names & identifiers
- Preferred name
- (2-Ethyl-2-methyl-1,3-dioxolan-4-yl)methyl carbamimidothioate
- IUPAC
- (2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl carbamimidothioate
- English name
- Carbamimidothioic acid, (2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl ester (9CI)
- Molecular formula
- C8H16N2O2S
- Molecular weight
- 204.29
Names & synonyms
790188-52-2(2-Ethyl-2-methyl-1,3-dioxolan-4-yl)methyl carbamimidothioateCarbamimidothioic acid, (2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl esterCarbamimidothioic acid, (2-ethyl-2-methyl-1,3-dioxolan-4-yl)methyl ester (9CI)
Database identifiers
- CAS
790188-52-2
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 93.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 201
Physicochemical properties
- Boiling point
- 297.4 · 297.4±38.0 °C(Predicted)
- Density
- 1.29 · 1.29±0.1 g/cm3(Predicted)
- pka
- 8.67 · 8.67±0.40(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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