3-(N-Nitrosomethylamino)sulfolan
Basic information
- CAS
13256-21-8- Standard SMILES
CN(N=O)C1CCS(=O)(=O)C1- InChIKey
PRZXZYVFNZCXQH-UHFFFAOYSA-N- Molecular formula
- C5H10N2O3S
- Average molar mass
- 178.21 g/mol
- Monoisotopic mass
- 178.04121336
Names & identifiers
- Preferred name
- 3-(N-Nitrosomethylamino)sulfolan
- IUPAC
- N-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide
- English name
- Tetrahydro-N-methyl-N-nitroso-3-thiophenamine 1,1-dioxide
- Molecular formula
- C5H10N2O3S
- Molecular weight
- 178.21
Names & synonyms
13256-21-83-(N-Nitrosomethylamino)sulfolanDTXSID101030615RefChem:1067200DTXCID101515699N-NitrosomethylaminosulfolaneTetrahydro-N-methyl-N-nitroso-3-thiophenamine 1,1-dioxideN-(1,1-dioxothiolan-3-yl)-N-methylnitrous amide3-THIOPHENAMINE, TETRAHYDRO-N-METHYL-N-NITROSO-, 1,1-DIOXIDEN-(1,1-Dioxidotetrahydrothiophen-3-yl)-N-methylnitrous amidePhenamine, tetrahydro-N-methyl-N-nitroso-3-thio-, 1,1-dioxideN-Methyl-N-nitroso-3-tetrahydrothiophenamine 1,1-dioxide
Show more names
3-[methyl(nitroso)amino]-1$l^{6}-thiolane-1,1-dione
N-methyl-N-nitrosotetrahydrothiophen-3-amine 1,1-dioxideNSC 963923-(N-Nitrosomethylamino)sulfolan [German]AI3-62667NSC963923-METHYLAMINO-N-NITROSOSULFOLANEPhenamine, 1,1-dioxideNCIOpen2_001616
Database identifiers
- CAS
13256-21-8- PubChem CID
- 25810
- DTXSID
DTXSID101030615- EC Number
- 688-784-6
Properties
Computed structural properties
- XLogP
- -0.2
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 243
Physicochemical properties
- Melting point
- 104 · 104-105 °C
- Boiling point
- 458 · 458.0±34.0 °C(Predicted)
- Density
- 1.279 · 1.279 (estimate)
- refractive index
- 1.643 · 1.6430 (estimate)
- pka
- -6.76 · -6.76±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07,GHS05
- Signal word
- Danger
- Hazard statements
- 318 · H318-H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
- Toxicity
- 50 orl-rat: · LD50 orl-rat: 750 mg/kg ZEKBAI 69,103,67
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]
P264, P264+P265, P270, P280, P301+P317, P305+P354+P338, P317, P330, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 38 reports by companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Toxicity
- LD50 orl-rat: 750 mg/kg ZEKBAI 69,103,67
- Signal word
- Danger
- Symbol(GHS)
- GHS07,GHS05
- Hazard statements
- H318-H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501-P280-P305+P351+P338-P310
Suppliers
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Related reactions
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Compound notes
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