Completing data — usually done within a minute
Basic information
- CAS
76-75-5- Standard SMILES
CCCC(C)C1(CC)C(=O)NC(=S)NC1=O- InChIKey
IUJDSEJGGMCXSG-UHFFFAOYSA-N- Molecular formula
- C11H18N2O2S
- Average molar mass
- 242.34 g/mol
Names & identifiers
- Preferred name
- (+/-)-Thiopental
- English name
- (+/-)-Thiopental
- Molecular formula
- C11H18N2O2S
- Molecular weight
- 242.34
Names & synonyms
THIOPENTALThiopental CRSIntravalNesdonalThiothalPentothalTiopentaleThiomebumalTHIOPENTONEPENTOTHAL ACID
Database identifiers
- CAS
76-75-5- PubChem CID
- 3000715
- ChEMBL
CHEMBL441- ChEBI
CHEBI:102166- UNII
- JI8Z5M7NA3
- EC Number
- 200-984-3
- Nikkaji
- J10.978I
Properties
Physicochemical properties
- Melting point
- 158 · 158-160°C
- Density
- 1.1789 · 1.1789 (rough estimate)
- refractive index
- 1.544 · 1.5440 (estimate)
- Flash point
- 11 ℃ · 11℃
- storage temp.
- 2 · 2-8°C
- solubility
- 50 mg/mL · ethanol: complete50mg/mL
- pka
- 7.11 · 7.11±0.40(Predicted)
- form
- Solid
- color
- White to Off-White
- Water Solubility
- 50 mg/L · 50mg/L(25 ºC)
- Major Application
- pharmaceutical (small molecule)
- InChI
- 1S/C11H18N2O2S/c1-4-6-7(3)11(5-2)8(14)12-10(16)13-9(11)15/h7H,4-6H2,1-3H3,(H2,12,13,14,15,16)
- InChIKey
- IUJDSEJGGMCXSG-UHFFFAOYSA-N
- SMILES
- CCCC(C)C1(CC)C(=O)NC(=S)NC1=O
- CAS DataBase Reference
- 76 · 76-75-5(CAS DataBase Reference)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 8 Z5M7NA3 · JI8Z5M7NA3
- ATC code
- 1 AF03,N05CA19 · N01AF03,N05CA19
- EPA Substance Registry System
- 4 · 4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylbutyl)-2-thioxo- (76-75-5)
- UNSPSC Code
- 41116107 · 41116107
- NACRES
- 24 · NA.24
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
Safety & regulation
Safety data
- wgk
- 3
- rtecs
- CQ6300000
- ridadr
- UN 1230 3/PG 2
- hs_code
- 2933595960
- Toxicity
- cyt-hmn:leu 1500 mg/L TGANAK18(1),13,84
- risk_code
- 22-39/23/24/25-23/24/25-11
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xn,T,F
- safety_code
- 36/37/39-45-36/37-16-7
- hazard_class
- 6.1(b)
- Storage Class
- 11 - Combustible Solids
- packing_group
- III
- Hazard statements
- H302
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 4 Oral
- Precautionary statements
- P301+P312+P330
- Hazardous Substances Data
- 76-75-5(Hazardous Substances Data)
Chemistry & industry
Applications
UsesA thio-derivative of Barbituric acid. Controlled substance (depressant). Anesthetic
Upstream & downstream products
Upstream raw materials
Suppliers15 total
国药集团化学试剂有限公司86-21-63210123 · [email protected]
普善实业（陕西）有限公司029-81310890 18165209495 · [email protected]
南京世洲生物科技有限公司13675144456 · [email protected]
天津普西唐生物医药科技有限公司010-60605840 · [email protected]
Related reactions
1 records
Compound notes
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