N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide
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Basic information
- CAS
331422-75-4- Standard SMILES
Cc1cc(NS(=O)(=O)c2ccc(NC(N)=S)cc2)no1- InChIKey
ZJFDEHIIFOMQEB-UHFFFAOYSA-N- Molecular formula
- C11H12N4O3S2
- Average molar mass
- 312.4 g/mol
- Monoisotopic mass
- 312.0350826
Names & identifiers
- Preferred name
- N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamide
- IUPAC
- [4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thiourea
- English name
- {4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}thiourea
- Molecular formula
- C11H12N4O3S2
- Molecular weight
- 312.37
Names & synonyms
331422-75-4N-(5-Methylisoxazol-3-yl)-4-thioureidobenzenesulfonamideN-(5-Methyl-isoxazol-3-yl)-4-thioureido-benzenesulfonamide{4-[(5-Methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl}thiourea[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]thioureaN-(5-METHYL-ISOXAZOL-3-YL)-4-THIOUREIDOBENZENESULFONAMIDEOprea1_562290AKOS024366354CS-0451165ST50999825AB00082879-01SR-01000206957
Show more names
Benzenesulfonamide, 4-[(aminothioxomethyl)amino]-N-(5-methyl-3-isoxazolyl)-
SR-01000206957-1({4-[(aminothioxomethyl)amino]phenyl}sulfonyl)(5-methylisoxazol-3-yl)amine
Database identifiers
- CAS
331422-75-4- PubChem CID
- 2063627
Properties
Computed structural propertiesFilling in
- XLogP
- 0.8
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 443
Physicochemical properties
- Symbol(GHS)
- 6 · GHS06
- Signal word
- Danger
- Hazard statements
- 301 · H301
- Precautionary statements
- 501 · P501-P270-P264-P301+P310+P330-P405
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Danger
- Symbol(GHS)
- GHS06
- Hazard statements
- H301
- Precautionary statements
- P501-P270-P264-P301+P310+P330-P405
Related reactions
0 records
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Compound notes
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