Basic information
- CAS
1231160-82-9- Standard SMILES
CCCCC(CC)CN1C(=O)c2cscc2C1=O- InChIKey
PCLDQMLVTDTSOU-UHFFFAOYSA-N- Molecular formula
- C14H19NO2S
- Average molar mass
- 265.37 g/mol
- Monoisotopic mass
- 265.11365002
Names & identifiers
- Preferred name
- 5-(2-Ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
- IUPAC
- 5-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione
- English name
- 5-(2-Ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione
- Molecular formula
- C14H19NO2S
- Molecular weight
- 265.37
Names & synonyms
5-(2-Ethylhexyl)-4H-thieno[3,4-c]pyrrole-4,6(5H)-dione1231160-82-9MFCD237031195-(2-ethylhexyl)thieno[3,4-c]pyrrole-4,6-dione4H-Thieno[3,4-c]pyrrole-4,6(5H)-dione, 5-(2-ethylhexyl)-5-(2-ethylhexyl)-4H,5H,6H-thieno[3,4-c]pyrrole-4,6-dioneAS-70122E1397D95237AMY27149A890855SCHEMBL2011192
Show more names
S1121N-(2-Ethylhexyl)-3,4-thiophenedicarboximide
DTXSID40736674PCLDQMLVTDTSOU-UHFFFAOYSA-NAKOS0160118AKOS016011886SY247844DB-340504F8445275-(2-Ethylhexyl)-4H-thieno[3,4-c ]pyrrole-4,6(5H )-dione
Database identifiers
- CAS
1231160-82-9- PubChem CID
- 67246768
- DTXSID
DTXSID40736674- Nikkaji
- J2.845.522D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 65.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 310
Physicochemical properties
- Melting point
- 73 °C · 73 °C
- Boiling point
- 365.2 · 365.2±15.0 °C(Predicted)
- Density
- 1.158 · 1.158±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- form
- powder to crystal
- pka
- -2.42 · -2.42±0.20(Predicted)
- color
- Light orange to Yellow to Green
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335-H412
- Precautionary statements
- 261 · P261-P264-P270-P271-P273-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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 statements
- H302-H315-H319-H335-H412
- Precautionary statements
- P261-P264-P270-P271-P273-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Chemistry & industry
Suppliers41 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
上海遐瑞医药科技有限公司+86-021-61551413 · [email protected]
深圳睿迅光电材料科技有限公司0755-26718755; 15889762949 · [email protected]
T&W GROUP021-61551611 13296011611 · [email protected]
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
吉林中科研伸科技有限公司18143011203 · [email protected]
湖南汇百侍生物科技有限公司0731-85526065 13308475853 · [email protected]
Shanghai Scibiotron Pharmaceutical Co., Ltd+86-16621589600 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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