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N-((4-Methylphenyl)sulfonyl)acetamide

HCID 286222
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Basic information

CAS
1888-33-1
Standard SMILES
CC(=O)NS(=O)(=O)c1ccc(C)cc1
InChIKey
BVJCFOOIOSGZFW-UHFFFAOYSA-N
Molecular formula
C9H11NO3S
Average molar mass
213.26 g/mol
Monoisotopic mass
213.04596439

Names & identifiers

Preferred name
N-((4-Methylphenyl)sulfonyl)acetamide
IUPAC
N-(4-methylphenyl)sulfonylacetamide
English name
N-(4-Methylphenyl)sulfonylacetamide
Molecular formula
C9H11NO3S
Molecular weight
213.25

Names & synonyms

1888-33-1n-[(4-methylphenyl)sulfonyl]acetamideN-((4-Methylphenyl)sulfonyl)acetamideRefChem:1090703N-(4-methylphenyl)sulfonylacetamideN-TosylacetamideN-Acetyl-p-toluene sulfonamideMFCD00159373N-p-Tosyl-AcetamideNSC 144080N-(4-Methylbenzene-1-sulfonyl)acetamideN-(p-tolylsulfonyl)acetamide
Show more names
N-ACETYL-4-TOLUENE SULFONAMIDEN-ACETYL-O,P-TOLUENESULFONAMIDEN-(4-methylphenyl)sulfonylethanamideAcetamide, N-[(4-methylphenyl)sulfonyl]-
NSC144080N-acetyl-4-tolylsulfonamideN-(P-TOSYL)ACETAMIDEIFLab1_000034SCHEMBL5931251SCHEMBL15321641DTXSID00301544HMS1412B12

Database identifiers

CAS
1888-33-1
PubChem CID
286222
DTXSID
DTXSID00301544
EC Number
606-156-1
Nikkaji
J502.301G

Properties

Computed structural properties

XLogP
1.1
Topological polar surface area
71.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Formal charge
0
Complexity
297

Physicochemical properties

Melting point
140 °C · 140 °C
storage temp.
Store at room temperature
form
powder to crystal
color
White to Almost white
Symbol(GHS)
7 · GHS07
Signal word
Warning
Hazard statements
302 · H302-H315-H319-H335
Precautionary statements
261 · P261-P305+P351+P338
HS Code
2935.9 · 2935.90.7500

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
2935.90.7500
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

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