Basic information
- CAS
302806-16-2- Standard SMILES
O=S1(=O)CC(O)C(NCc2ccco2)C1- InChIKey
ORLZFELKWVMUAR-UHFFFAOYSA-N- Molecular formula
- C9H13NO4S
- Average molar mass
- 231.27 g/mol
- Monoisotopic mass
- 231.05652907
Names & identifiers
- Preferred name
- 4-[(2-Furylmethyl)amino]-3-hydroxythiolane-1,1-dione
- IUPAC
- 4-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-ol
- English name
- 4-[(2-FURYLMETHYL)AMINO]TETRAHYDROTHIOPHENE-3-OL 1,1-DIOXIDE
- Molecular formula
- C9H13NO4S
- Molecular weight
- 231.27
Names & synonyms
302806-16-24-[(2-furylmethyl)amino]-3-hydroxythiolane-1,1-dione3-[(furan-2-ylmethyl)amino]-4-hydroxy-1lambda6-thiolane-1,1-dione4-[(Furan-2-ylmethyl)-amino]-1,1-dioxo-tetrahydro-1lambda*6*-thiophen-3-olMFCD020811024-(furan-2-ylmethylamino)-1,1-dioxothiolan-3-ol3-((Furan-2-ylmethyl)amino)-4-hydroxytetrahydrothiophene 1,1-dioxide3-{[(furan-2-yl)methyl]amino}-4-hydroxy-1lambda6-thiolane-1,1-dione3-[(Furan-2-ylmethyl)amino]-4-hydroxytetrahydrothiophene 1,1-Dioxide4-[(2-furylmethyl)amino]tetrahydrothiophene-3-ol 1,1-dioxide3-([(FURAN-2-YL)METHYL]AMINO)-4-HYDROXY-1LAMBDA6-THIOLANE-1,1-DIONETimTec1_001171
Show more names
TIMTEC-BB SBB007364OTAVA-BB BB01086001993-{[(furan-2-yl)methyl]amino}-4-hydroxy-1-thiolane-1,1-dione4-[(FURAN-2-YLMETHYL)-AMINO]-1,1-DIOXO-TETRAHYDRO-1-THIOPHEN-3-OLThiophene-3-ol, 4-[(2-furanylmethyl)amino]tetrahydro-, 1,1-dioxide4-[(FURAN-2-YLMETHYL)-AMINO]-1,1-DIOXO-TETRAHYDRO-1LAMBDA6-THIOPHEN-3-OL
Oprea1_052469Oprea1_204656MLS000027816CHEMBL1313524HMS1537F05HMS2407C104-[(Furan-2-ylmethyl)-amino]-1,1-dioxo-tetrahydro-thiophen-3-olSBB007364
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 87.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 311
Physicochemical properties
- Boiling point
- 475.2 · 475.2±45.0 °C(Predicted)
- Density
- 1.42 · 1.42±0.1 g/cm3(Predicted)
- pka
- 12.65 · 12.65±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers2 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Guangzhou Yuheng Pharmaceutical Technology Co., Ltd+8613580539051 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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