(Diphenylimino-lambda6-sulfanyl)one
Basic information
- CAS
22731-83-5- Standard SMILES
N=S(=O)(c1ccccc1)c1ccccc1- InChIKey
KNPJTNDEHOFWKA-UHFFFAOYSA-N- Molecular formula
- C12H11NOS
- Average molar mass
- 217.29 g/mol
- Monoisotopic mass
- 217.05613515
Names & identifiers
- Preferred name
- (Diphenylimino-lambda6-sulfanyl)one
- IUPAC
- imino-oxo-diphenyl-λ6-sulfane
- English name
- sulfoniMidoyldibenzene
- Molecular formula
- C12H11NOS
- Molecular weight
- 217.29
Names & synonyms
(diphenylimino-lambda6-sulfanyl)oneRefChem:406195822-628-1Sulfonimidoyldibenzene22731-83-5(Phenylsulfonimidoyl)benzeneimino-oxo-diphenyl-lambda6-sulfaneS,S-DiphenylsulfoximineMFCD00507872iminodiphenyl-l6-sulfanoneNSC172172Sulfoximine, S,S-diphenyl-
Show more names
S,S-Diphenylsulfoximine, 95%(DIPHENYLIMINO-LAMBDA6-SULFANYL)ONE*(DIPHENYLIMINO-LAMBDA6-SULFANYL)ONE(WXC09774)
L5R9K754QGNSC-172172Sulfoximine,S,S-diphenyl-diphenyl sulfoximineNSC 172172S,?S-?Diphenyl-sulfoximine1,1'-SulfonimidoyldibenzeneUNII-L5R9K754QG
Database identifiers
- CAS
22731-83-5- PubChem CID
- 425251
- DTXSID
DTXSID60177267- ChEMBL
CHEMBL1983563- UNII
- L5R9K754QG
- EC Number
- 822-628-1
- Nikkaji
- J408.805K、J958.082D
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 271
Experimental & physicochemical properties
SpringerMaterials Properties15N nuclear magnetic resonance spectrum
Physicochemical properties
- Melting point
- 97 · 97-98 °C
- Boiling point
- 341.9 · 341.9±25.0 °C(Predicted)
- Density
- 1.15 · 1.15(20.0000℃)
- Flash point
- 160.6 ℃ · 160.6℃
- storage temp.
- 2 · Storage temp. 2-8°C
- Appearance
- Off-white to light yellow Solid
- InChI
- InChI=1S/C12H11NOS/c13-15(14,11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H
- InChIKey
- KNPJTNDEHOFWKA-UHFFFAOYSA-N
- SMILES
- S(C1=CC=CC=C1)(C1=CC=CC=C1)(=N)=O
- FDA UNII
- 5 R9K754QG · L5R9K754QG
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
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
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (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 CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 29252900
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H335-H302-H319
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P264-P280-P305+P351+P338-P337+P313P-P264-P280-P302+P352-P321-P332+P313-P362
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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