CAS 81417-51-8 3-Methylthiophene-2-sulfonamide (HCID 341083)

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Basic information

CAS: 81417-51-8
Standard SMILES: Cc1ccsc1S(N)(=O)=O
InChIKey: CCCDPFVJVPDYRU-UHFFFAOYSA-N
Molecular formula: C5H7NO2S2
Average molar mass: 177.2 g/mol
Monoisotopic mass: 176.99182081

Names & identifiers

Preferred name: 3-Methylthiophene-2-sulfonamide
IUPAC: 3-methylthiophene-2-sulfonamide
English name: 2-Thiophenesulfonamide,3-methyl-(9CI)
Molecular formula: C5H7NO2S2
Molecular weight: 177.24

Names & synonyms

3-Methylthiophene-2-sulfonamideRefChem:504372858-954-681417-51-83-Methyl-2-thiophenesulfonamide2-Thiophenesulfonamide,3-methyl-(9CI)NSC372540SCHEMBL2068726SCHEMBL281898333-methyl-thiophene-2-sulfonamideDTXSID003212672-Thiophenesulfonamide, 3-methyl-

Show more names

3-Methyl-2-thiophenesulfonamide #GDA41751AKOS013154385NSC-372540DB-282706EN300-208181G53840F515379

Database identifiers

CAS: 81417-51-8
PubChem CID: 341083
DTXSID: DTXSID00321267
EC Number: 858-954-6
Nikkaji: J1.398.740H

Properties

Computed structural properties

XLogP: 0.9
Topological polar surface area: 96.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 206

Physicochemical properties

Boiling point: 345.3 · 345.3±44.0 °C(Predicted)
Density: 1.427 · 1.427±0.06 g/cm3(Predicted)
storage temp.: Store at Room Tem.
pka: 10.03 · 10.03±0.60(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H335-H302-H315
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501

Safety & regulation

GHS classification

GHS Classification · 5 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]；H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)；Skin Irrit. 2 (100%)；Eye Irrit. 2A (100%)；STOT SE 3 (100%)

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H319-H335-H302-H315
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501