Basic information
- CAS
30243-07-3- Standard SMILES
NC(=O)CSc1ccc(Br)cc1- InChIKey
JANRZFAWSQOJTP-UHFFFAOYSA-N- Molecular formula
- C8H8BrNOS
- Average molar mass
- 246.13 g/mol
- Monoisotopic mass
- 244.951
Names & identifiers
- Preferred name
- 2-[(4-Bromophenyl)thio]acetamide
- IUPAC
- 2-(4-bromophenyl)sulfanylacetamide
- English name
- CHEMBRDG-BB 7758268
- Molecular formula
- C8H8BrNOS
- Molecular weight
- 246.13
Names & synonyms
2-[(4-bromophenyl)thio]acetamide30243-07-32-((4-Bromophenyl)thio)acetamide2-(4-bromophenyl)sulfanylacetamide2-[(4-bromophenyl)sulfanyl]acetamideMFCD04329731p-BromphenylthioglycolsaeureamidCHEMBRDG-BB 7758268SMR000076032AKOS BB736MLS000064134CHEMBL1411256
Show more names
2-[(4-bromophenyl)thio]acetamide(SALTDATA: FREE)
SCHEMBL10968835SCHEMBL11212921DTXSID10366962HMS2387A07STL376229AKOS000103166Acetamide, 2-[(4-bromophenyl)thio]-SDCCGMLS-0043911.P002
Database identifiers
- CAS
30243-07-3- PubChem CID
- 2201612
- DTXSID
DTXSID10366962- ChEMBL
CHEMBL1411256
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 157
Physicochemical properties
- Boiling point
- 389.8 · 389.8±27.0 °C(Predicted)
- Density
- 1.63 · 1.63±0.1 g/cm3(Predicted)
- pka
- 15.45 · 15.45±0.40(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
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
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers3 total
上海毕得医药科技股份有限公司400-1647117 13681763483 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
上海进取者生物医药科技有限公司19121164345; 1 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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