Basic information
- CAS
71933-13-6- Standard SMILES
N=C(N)c1ccc(CS(=O)(=O)F)cc1- InChIKey
PMHUSCHKTSTQEP-UHFFFAOYSA-N- Molecular formula
- C8H9FN2O2S
- Average molar mass
- 216.23 g/mol
- Monoisotopic mass
- 216.03687687
Names & identifiers
- Preferred name
- (4-Amidinophenyl)methanesulfonyl fluoride
- IUPAC
- (4-carbamimidoylphenyl)methanesulfonyl fluoride
- English name
- (4-amidinophenyl)methanesulfonyl fluoride
- Molecular formula
- C8H9FN2O2S
- Molecular weight
- 216.23
Names & synonyms
71933-13-6(4-Amidinophenyl)methanesulfonyl fluoride(p-Amidinophenyl)methanesulfonyl fluorideDTXSID90222219Benzenemethanesulfonyl fluoride, 4-(aminoiminomethyl)-RefChem:69458DTXCID40144710p-Apmsf(4-carbamimidoylphenyl)methanesulfonyl fluoride4-Amidinophenylmethanesulfonyl fluoridep-APMSF hydrochloridePMHUSCHKTSTQEP-UHFFFAOYSA-N
Show more names
SCHEMBL537872CHEMBL1199253MFCD00036898AKOS027378079SDCCGSBI-0633745.P001NCGC00186021-01NCGC00186021-02AS-67595
Database identifiers
- CAS
71933-13-6- PubChem CID
- 1719
- DTXSID
DTXSID90222219- ChEMBL
CHEMBL1199253- Nikkaji
- J265.407E
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 92.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 302
Physicochemical properties
- Boiling point
- 380.5 · 380.5±52.0 °C(Predicted)
- Density
- 1.44 · 1.44±0.1 g/cm3(Predicted)
- pka
- 11.33 · 11.33±0.50(Predicted)
Chemistry & industry
Suppliers1 total
Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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