Basic information
- CAS
415913-06-3- Standard SMILES
Cc1nc(S(N)(=O)=O)cn1C- InChIKey
IBPSPEHRHLEXKB-UHFFFAOYSA-N- Molecular formula
- C5H9N3O2S
- Average molar mass
- 175.21 g/mol
- Monoisotopic mass
- 175.04154753
Names & identifiers
- Preferred name
- 1,2-dimethyl-1H-imidazole-4-sulfonamide
- IUPAC
- 1,2-dimethylimidazole-4-sulfonamide
- English name
- 1H-Imidazole-4-sulfonamide,1,2-dimethyl-(9CI)
- Molecular formula
- C5H9N3O2S
- Molecular weight
- 175.21
Names & synonyms
415913-06-31,2-dimethyl-1H-imidazole-4-sulfonamideDTXSID101280220RefChem:411744DTXCID701710807997-715-11,2-dimethylimidazole-4-sulfonamide1H-Imidazole-4-sulfonamide,1,2-dimethyl-(9CI)1,2-dimethyl-1H-imidazol-4-ylsulfonamide1,2-Dimethyl-1H-imidazole-4-sulfonic acid amideSCHEMBL489962IBPSPEHRHLEXKB-UHFFFAOYSA-N
Show more names
MFCD02091383SBB089060AKOS011340113FS-1471DB-1110241H-Imidazole-4-sulfonamide, 1,2-dimethyl-CS-0215475C80070
Database identifiers
- CAS
415913-06-3- PubChem CID
- 2758563
- DTXSID
DTXSID101280220- EC Number
- 997-715-1
Properties
Computed structural properties
- XLogP
- -0.7
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 233
Physicochemical properties
- Melting point
- 236 · 236-238°
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-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.
GHS classification
GHS Classification
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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Chemistry & industry
Suppliers6 total
上海药诚医药科技合伙企业（有限合伙）400-6181121 18616381138 · [email protected]
法姆瑞斯医药科技（北京）有限公司18901358086 · [email protected]
常州探索化学有限公司15295164949 · [email protected]
Changzhou Exploring Chemical Co., Ltd15295164949 · [email protected]
常州优瑞医药科技有限公司18168818882 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 18651614124 · [email protected]
Related reactions
13 records
Compound notes
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