Basic information
- CAS
26541-51-5- Standard SMILES
O=NN1CCSCC1- InChIKey
OMDNEQQMLDYBTR-UHFFFAOYSA-N- Molecular formula
- C4H8N2OS
- Average molar mass
- 132.19 g/mol
- Monoisotopic mass
- 132.03573406
Names & identifiers
- Preferred name
- N-Nitrosothiomorpholine
- IUPAC
- 4-nitrosothiomorpholine
- English name
- N-NITROSOTHIOMORPHOLINE
- Molecular formula
- C4H8N2OS
- Molecular weight
- 132.18
Names & synonyms
4-NitrosothiomorpholineN-NitrosothiomorpholineTHIOMORPHOLINE, 4-NITROSO-BRN 0970965DTXSID80210642H-1,4-Thiazine, 4-nitroso-4NitrosothiomorpholineMorpholine, 4nitrosothioThiomorpholine, 4nitrosoRefChem:164037DTXCID501064OMDNEQQMLDYBTR-UHFFFAOYSA-N
Show more names
26541-51-5NitrosothiomorpholineMorpholine, 4-nitrosothio-4-Nitroso-thiomorpholine8W9YZ25J66N-Nitroso ThiomorpholineSCHEMBL970615UNII-8W9YZ25J66
Database identifiers
- CAS
26541-51-5- PubChem CID
- 33535
- DTXSID
DTXSID8021064- ChEMBL
CHEMBL166925- UNII
- 8W9YZ25J66
- EC Number
- 184-957-0
- Nikkaji
- J2.769C
Properties
Computed structural properties
- XLogP
- 0.4
- Topological polar surface area
- 58 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 82.1
Experimental & physicochemical properties
Chemical ClassesNitrogen Compounds -> Nitrosamines
SpringerMaterials PropertiesChemical shift
LogP0.4
Vapor Pressure0.01 [mmHg]
Physicochemical properties
- Melting point
- 35 · 35-37 °C
- Boiling point
- 303.8 · 303.8±35.0 °C(Predicted)
- Density
- 1.183 · 1.183 (estimate)
- refractive index
- 1.643 · 1.6430 (estimate)
- pka
- -5 · -5.00±0.20(Predicted)
- FDA UNII
- 8 W9YZ25J66 · 8W9YZ25J66
- Toxicity
- 1 mmol/plate · mma-sat 1 mmol/plate MUREAV 57,1,78
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
H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
P203, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P318, 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
Hazards SummarySee NITROSAMINES.
Hazard Classes and CategoriesAcute Tox. 3 (100%)
Safety data
- Toxicity
- mma-sat 1 mmol/plate MUREAV 57,1,78
Chemistry & industry
Suppliers4 total
南京世洲生物科技有限公司13675144456 · [email protected]
山东领海生物科技有限公司15092083467 · [email protected]
上海康满林生物医药有限公司68080707 15021879576 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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