Basic information
- CAS
120004-07-1- Standard SMILES
COC(=O)C1=C(C)Nc2scc(CC(C)C)c2C1c1cccc([N+](=O)[O-])c1- InChIKey
UTLPUICHKZBRCI-UHFFFAOYSA-N- Molecular formula
- C20H22N2O4S
- Average molar mass
- 386.5 g/mol
- Monoisotopic mass
- 386.13002836
Overview
structure given in first source
Names & identifiers
- Preferred name
- S 312
- IUPAC
- methyl 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylate
- English name
- S 312
- Molecular formula
- C20H22N2O4S
- Molecular weight
- 386.47
Names & synonyms
120004-07-1S 312Thieno(2,3-b)pyridine-5-carboxylic acid, 4,7-dihydro-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-, methyl ester, (+-)-S-312RefChem:180442methyl 6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-4,7-dihydrothieno[2,3-b]pyridine-5-carboxylateMethyl 4,7-dihydro-3-isobutyl-6-methyl-4-(nitrophenyl)thieno(2,3-b)-pyridine-5-carboxylateorb1738220SCHEMBL5079228DTXSID30923177methyl (+/-)-4,7-dihydro-3isobutyl-6-methyl-4-(3-nitrophenyl)thieno[2,3-b]pyridine-5-carboxylateThieno[2,3-b]pyridine-5-carboxylic acid, 4,7-dihydro-6-methyl-3-(2-methylpropyl)-4-(3-nitrophenyl)-, methyl ester
Show more names
hCG1646516Anti-KIAA1881 antibody produced in goatplasma membrane associated protein, S3-12
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 616
Physicochemical properties
- Melting point
- 189 · 189-190 °C(Solv: methanol (67-56-1))
- Boiling point
- 483.6 · 483.6±45.0 °C(Predicted)
- Density
- 1.243 · 1.243±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · -20°C
- pka
- 2.25 · 2.25±0.70(Predicted)
- form
- buffered aqueous solution
- biological source
- goat
- UNSPSC Code
- 12352203 · 12352203
- NACRES
- 41 · NA.41
- WGK Germany
- 2 · WGK 2
- Storage Class
- 10 · 10 - Combustible liquids
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
- wgk
- WGK 2
- Storage Class
- 10 - Combustible liquids
Chemistry & industry
Suppliers2 total
上海陶术生物科技股份有限公司13564774135 · [email protected]
TargetMol中国（陶术生物）15002134094 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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