Basic information
- CAS
306936-46-9- Standard SMILES
CSc1ccc(-n2c(-c3ccccc3)cc(C(=O)O)c2C)cc1- InChIKey
QBOWQXIOUVDLBT-UHFFFAOYSA-N- Molecular formula
- C19H17NO2S
- Average molar mass
- 323.4 g/mol
- Monoisotopic mass
- 323.09799996
Names & identifiers
- Preferred name
- 2-Methyl-1-[4-(methylthio)phenyl]-5-phenyl-1h-pyrrole-3-carboxylic acid
- IUPAC
- 2-methyl-1-(4-methylsulfanylphenyl)-5-phenylpyrrole-3-carboxylic acid
- English name
- 2-Methyl-1-[4-(methylthio)phenyl]-5-phenyl-1H-pyrrole-3-carboxylic acid
- Molecular formula
- C19H17NO2S
- Molecular weight
- 323.41
Names & synonyms
306936-46-92-Methyl-1-(4-(methylthio)phenyl)-5-phenyl-1H-pyrrole-3-carboxylic acid2-methyl-1-[4-(methylthio)phenyl]-5-phenyl-1h-pyrrole-3-carboxylic acidMFCD021807872-methyl-1-(4-methylsulfanylphenyl)-5-phenylpyrrole-3-carboxylic acid2-methyl-1-[4-(methylsulfanyl)phenyl]-5-phenyl-1H-pyrrole-3-carboxylic acidMaybridge1_008554Oprea1_847377SCHEMBL4265600HMS565M18DTXSID903717511H-Pyrrole-3-carboxylicacid, 2-methyl-1-[4-(methylthio)phenyl]-5-phenyl-
Show more names
BUTTPARK 96\50-441-(4-METHYLTHIOPHENYL)-2-METHYL-5-PHENYLPYRROLE-3-CARBOXYLIC ACID1H-Pyrrole-3-carboxylic acid, 2-methyl-1-[4-(methylthio)phenyl]-5-phenyl-
AKOS027379920AS-9086SB63044CS-03279872-Methyl-1-(4-(methylthio)phenyl)-5-phenyl-1H-pyrrole-3-carboxylicacid2-methyl-1-(4-methylsulfanylphenyl)-5-phenyl-pyrrole-3-carboxylic acid
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 67.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 402
Physicochemical properties
- Melting point
- 202 °C · 202 °C
- Boiling point
- 535.2 · 535.2±50.0 °C(Predicted)
- Density
- 1.19 · 1.19±0.1 g/cm3(Predicted)
- pka
- 5.56 · 5.56±0.50(Predicted)
- Hazard Codes
- Xi
- Hazard Note
- Irritant
- HS Code
- 2933998090 · 2933998090
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
- hs_code
- 2933998090
- hazard_code
- Xi
- hazard_note
- Irritant
Chemistry & industry
Suppliers5 total
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
常州合晶化工有限公司85528066 13775048983 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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