Propane-2-sulfonamide

HCID 3549191

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Basic information

CAS: 81363-76-0
Standard SMILES: CC(C)S(N)(=O)=O
InChIKey: SJMCLWCCNYAWRQ-UHFFFAOYSA-N
Molecular formula: C3H9NO2S
Average molar mass: 123.18 g/mol
Monoisotopic mass: 123.03539953

Names & identifiers

Preferred name: Propane-2-sulfonamide
IUPAC: propane-2-sulfonamide
English name: Isopropylsulfonamide
Molecular formula: C3H9NO2S
Molecular weight: 123.17

Names & synonyms

Propane-2-sulfonamide81363-76-0DTXSID80393543RefChem:374317DTXCID70344403816-007-4IsopropylsulfonamideIsopropyl sulphonamide2-propanesulfonamideIsopropylsulphonamideMFCD035506102-sulfamylpropane

Show more names

Propan-2-sulfonamideIsopropylsulphonamide 98%2-Propanesulfonamide (9CI, ACI)IsopropylsulfonamidePropane-2-sulfonamidePropane-2-sulphonamide, 2-Sulphamoylpropane

isopropyl sulfonamide1-methylethylsulfonamideSCHEMBL43258propane-2-sulfonic acid amideBS-12733SY040953EN300-57289SJMCLWCCNYAWRQ-UHFF

Database identifiers

CAS: 81363-76-0
PubChem CID: 3549191
DTXSID: DTXSID80393543
EC Number: 816-007-4
Nikkaji: J947.020D

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 68.5 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 1
Heavy atoms: 7
Formal charge: 0
Complexity: 130

Physicochemical properties

Melting point: 61 · 61-65 °C(Solv: chloroform (67-66-3); carbon tetrachloride (56-23-5))
Boiling point: 216.5 · 216.5±23.0 °C(Predicted)
Density: 1.194 · 1.194±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 10.69 · 10.69±0.60(Predicted)
Appearance: White to off-white Solid
InChI: InChI=1S/C3H9NO2S/c1-3(2)7(4,5)6/h3H,1-2H3,(H2,4,5,6)
InChIKey: SJMCLWCCNYAWRQ-UHFFFAOYSA-N
SMILES: CC(S(N)(=O)=O)C
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H302-H335
Precautionary statements: 264 · P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501
HS Code: 2935909099 · 2935909099

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

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%)

Safety data

hs_code: 2935909099
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H302-H335
Precautionary statements: P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362-P264-P270-P301+P312-P330-P501