1-[(1-Phenyl-1H-tetrazol-5-YL)thio]acetone
Basic information
- CAS
25803-68-3- Standard SMILES
CC(=O)CSc1nnnn1-c1ccccc1- InChIKey
FDXMSEVSSDFTDV-UHFFFAOYSA-N- Molecular formula
- C10H10N4OS
- Average molar mass
- 234.28 g/mol
- Monoisotopic mass
- 234.05753213
Names & identifiers
- Preferred name
- 1-[(1-Phenyl-1H-tetrazol-5-YL)thio]acetone
- IUPAC
- 1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-one
- English name
- AKOS BC-3167
- Molecular formula
- C10H10N4OS
- Molecular weight
- 234.28
Names & synonyms
25803-68-31-[(1-PHENYL-1H-TETRAZOL-5-YL)THIO]ACETONE1-(1-phenyltetrazol-5-yl)sulfanylpropan-2-oneMFCD004533501-((1-Phenyl-1h-tetrazol-5-yl)thio)propan-2-one1-[(1-phenyl-1H-1,2,3,4-tetrazol-5-yl)sulfanyl]propan-2-one1-[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]propan-2-one2-Propanone, 1-[(1-phenyl-1H-tetrazol-5-yl)thio]-AKOS BC-31671-(1-phenyl-1,2,3,4-tetraazol-5-ylthio)acetoneAKOSBC-3167CBMicro_027588
Show more names
AKOS BBS-00008483OTAVA-BB 7216090117CHEMBRDG-BB 5676310TIMTEC-BB SBB0064361-[(1-phenyltetrazol-5-yl)thio]acetone1-[(1-phenyl-5-tetrazolyl)thio]propan-2-one1-[(1-Phenyl-1H-tetraazol-5-yl)sulfanyl]acetone
SCHEMBL11925367DTXSID10357779FDXMSEVSSDFTDV-UHFFFAOYSA-NALBB-023000SBB006436STK396577AKOS000272811LS-07127
Database identifiers
- CAS
25803-68-3- PubChem CID
- 867892
- DTXSID
DTXSID10357779- Nikkaji
- J2.910.612F
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 86 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 245
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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