Basic information
- CAS
379255-04-6- Standard SMILES
O=S(=O)(c1ccc(Cl)c(N=C=S)c1)N1CCOCC1- InChIKey
PVHQOLROQSEBDV-UHFFFAOYSA-N- Molecular formula
- C11H11ClN2O3S2
- Average molar mass
- 318.8 g/mol
- Monoisotopic mass
- 317.9899623
Names & identifiers
- Preferred name
- 4-(4-Chloro-3-isothiocyanatobenzenesulfonyl)morpholine
- IUPAC
- 4-(4-chloro-3-isothiocyanatophenyl)sulfonylmorpholine
Names & synonyms
4-(4-chloro-3-isothiocyanatobenzenesulfonyl)morpholine379255-04-6RefChem:514017993-895-04-(4-Chloro-3-isothiocyanato-benzenesulfonyl)-morpholine4-(4-chloro-3-isothiocyanatophenyl)sulfonylmorpholineAKOS000115253EN300-01231G32353SR-01000037794SR-01000037794-1Z56869454
Show more names
4-[(4-chloro-3-isothiocyanatobenzene)sulfonyl]morpholine
Database identifiers
- CAS
379255-04-6- PubChem CID
- 3682811
- EC Number
- 993-895-0
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 453
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
Danger
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P233, P260, P261, P264, P264+P265, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, 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%)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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