Basic information
- Standard SMILES
CCC(CC)C1(CC)C(=O)NC(=S)NC1=O- InChIKey
VMBXKUPZOMUHQT-UHFFFAOYSA-N- Molecular formula
- C11H18N2O2S
- Average molar mass
- 242.34 g/mol
- Monoisotopic mass
- 242.10889882
Overview
structure given in first source
Names & identifiers
- Preferred name
- 5-Ethyl-5-(1-ethylpropyl)-2-thiobarbituric acid
- IUPAC
- 5-ethyl-5-pentan-3-yl-2-sulfanylidene-1,3-diazinane-4,6-dione
- English name
- 5-ethyl-5-(1-ethylpropyl)-2-thiobarbituric acid
- Molecular weight
- 0
Names & synonyms
5-Ethyl-5-(1-ethylpropyl)-2-thiobarbituric acid87171-21-94,6(1H,5H)-Pyrimidinedione, 5-ethyl-5-(1-ethylpropyl)dihydro-2-thioxo-BARBITURIC ACID, 5-ETHYL-5-(1-ETHYLPROPYL)-2-THIO-DTXSID90236154EEPTBRefChem:913355DTXCID90158645JEW635PP2N5-Ethyl-5-(1-ethylpropyl)-2-thioxo-2,3-dihydropyrimidine-4,6(1H,5H)-dioneBRN 01927934-24-00-01962 (Beilstein Handbook Reference)
Show more names
5-Ethyl-5-(1-ethylpropyl)-2-thioxo-Thiopental Sodium and Sodium Carbonate Impurity CThiopental sodium - Impurity CQ: What is Thiopental sodium - Impurity C Q: What is the CAS Number of Thiopental sodium - Impurity C
5-ethyl-5-pentan-3-yl-2-sulfanylidene-1,3-diazinane-4,6-dioneThiopental EP Impurity CUNII-JEW635PP2N5-ETHYL-5-(PENTAN-3-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-4,6-DIONE5-Ethyl-5(1-ethylpropyl) 2-thiobarbituric acidTHIOPENTAL SODIUM IMPURITY C [EP IMPURITY]Thiopental Sodium And Sodium Carbonate EP Impurity C5-ethyl-5-(pentan-3-yl)-2-thioxodihydropyrimidine-4,6(1H,5H)-dione
Database identifiers
- CAS
87171-21-9- PubChem CID
- 3033726
- DTXSID
DTXSID90236154- UNII
- JEW635PP2N
- Nikkaji
- J402.054E
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 90.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 304
Physicochemical properties
- FDA UNII
- 635 PP2N · JEW635PP2N
Chemistry & industry
Applications
Uses5-Ethyl-5-(1-ethylpropyl)-2-thiobarbituric Acid, is the isomer of thiopental (T344800), which is also shown to have anesthetic potency.
Upstream & downstream products
Upstream raw materials
Suppliers2 total
艾吉析科技（上海）有限公司17717235263 · [email protected]
珠海安哲生物科技有限公司13169972583 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Linked notes
Loading…