2-{[4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-[4-(aminosulfonyl)phenyl]acetamide
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Basic information
- CAS
442642-40-2- Standard SMILES
C=CCn1c(SCC(=O)Nc2ccc(S(N)(=O)=O)cc2)nnc1-c1cccs1- InChIKey
MJBDPFMUWKCKSF-UHFFFAOYSA-N- Molecular formula
- C17H17N5O3S3
- Average molar mass
- 435.6 g/mol
- Monoisotopic mass
- 435.04935294
Names & identifiers
- Preferred name
- 2-{[4-Allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-YL]sulfanyl}-N-[4-(aminosulfonyl)phenyl]acetamide
- IUPAC
- 2-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
- English name
- BUTTPARK 143\41-52
- Molecular formula
- C17H17N5O3S3
- Molecular weight
- 435.54
Names & synonyms
442642-40-22-{[4-allyl-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(aminosulfonyl)phenyl]acetamide2-((4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(4-(AMINOSULFONYL)PHENYL)ACETAMIDERefChem:448787638-269-72-((4-Allyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-sulfamoylphenyl)acetamideBUTTPARK 143\41-522-{[4-(prop-2-en-1-yl)-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-sulfamoylphenyl)acetamideSTK767022AKOS0017263082-[(4-prop-2-enyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamideST075599
Show more names
SALOR-INT L413941-1EA2-([4-ALLYL-5-(2-THIENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-N-[4-(AMINOSULFONYL)PHENYL]ACETAMIDEAcetamide, N-[4-(aminosulfonyl)phenyl]-2-[[4-(2-propen-1-yl)-5-(2-thienyl)-4H-1,2,4-triazol-3-yl]thio]-
CS-0358347SR-01000536869SR-01000536869-12-(4-prop-2-enyl-5-(2-thienyl)(1,2,4-triazol-3-ylthio))-N-(4-sulfamoylphenyl)a cetamide
Properties
Computed structural propertiesFilling in
- XLogP
- 1.9
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 649
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 319 · H319-H335-H315
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
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
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H319-H335-H315
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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