Basic information
- CAS
297743-27-2- Standard SMILES
Cc1ccc(S(=O)(=O)Cc2csc(N)n2)cc1- InChIKey
WEGQBJREVMHCEB-UHFFFAOYSA-N- Molecular formula
- C11H12N2O2S2
- Average molar mass
- 268.4 g/mol
- Monoisotopic mass
- 268.03401998
Names & identifiers
- Preferred name
- 4-(Toluene-4-sulfonylmethyl)-thiazol-2-ylamine
- IUPAC
- 4-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine
- English name
- 4-(TOLUENE-4-SULFONYLMETHYL)-THIAZOL-2-YLAMINE
- Molecular formula
- C11H12N2O2S2
- Molecular weight
- 268.36
Names & synonyms
4-(Toluene-4-sulfonylmethyl)-thiazol-2-ylamine4-(Tosylmethyl)thiazol-2-amine297743-27-24-[(4-methylphenyl)sulfonylmethyl]-1,3-thiazol-2-amine1-{[(2-amino(1,3-thiazol-4-yl))methyl]sulfonyl}-4-methylbenzeneOprea1_019657CBDivE_009303MLS000031857SCHEMBL3143298CHEMBL1603003WEGQBJREVMHCEB-UHFFFAOYSA-NHMS1682J11
Show more names
2-Thiazolamine, 4-[[(4-methylphenyl)sulfonyl]methyl]-4-{[(4-Methylphenyl)sulfonyl]methyl}-1,3-thiazol-2-ylamine
HMS2364M06SBB027579STK371580AKOS0003011424-(p-tolylsulfonylmethyl)thiazol-2-amineSMR000001265CS-0335977ST50000754
Database identifiers
- CAS
297743-27-2- PubChem CID
- 653276
- ChEMBL
CHEMBL1603003- EC Number
- 108-339-7
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 110 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 345
Physicochemical properties
- Boiling point
- 526.4 · 526.4±50.0 °C(Predicted)
- Density
- 1.389 · 1.389±0.06 g/cm3(Predicted)
- pka
- 2.38 · 2.38±0.10(Predicted)
- Hazard Codes
- Xi
- Risk Statements
- 36 · 36
- HazardClass
- IRRITANT
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
H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
P264+P265, P280, P305+P351+P338, and P337+P317 (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 CategoriesEye Irrit. 2 (100%)
Safety data
- risk_code
- 36
- hazard_code
- Xi
- hazard_class
- IRRITANT
Chemistry & industry
Suppliers1 total
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
Related reactions
2 records
Compound notes
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