CAS 26494-76-8 4-Amino-1lambda~6~,4-thiazinane-1,1-dione (HCID 12708263)

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Basic information

CAS: 26494-76-8
Standard SMILES: NN1CCS(=O)(=O)CC1
InChIKey: YDKNASMIEZGJEJ-UHFFFAOYSA-N
Molecular formula: C4H10N2O2S
Average molar mass: 150.2 g/mol
Monoisotopic mass: 150.04629856

Names & identifiers

Preferred name: 4-Amino-1lambda~6~,4-thiazinane-1,1-dione
IUPAC: 1,1-dioxo-1,4-thiazinan-4-amine
English name: 4-Aminothiomorpholine 1,1-dioxide
Molecular formula: C4H10N2O2S
Molecular weight: 150.2

Names & synonyms

26494-76-8DTXSID505075744-Amino-1lambda~6~,4-thiazinane-1,1-dioneRefChem:289755DTXCID204583824-Aminothiomorpholine 1,1-Dioxide4-Thiomorpholinamine, 1,1-dioxide1,1-dioxo-1,4-thiazinan-4-amineMFCD082762644-AMINO-1??-THIOMORPHOLINE-1,1-DIONE4-Thiomorpholinamine 1,1-Dioxide4-amino-1lambda6-thiomorpholine-1,1-dione

Show more names

1,1-dioxo-1,4-thiazinan-4-aminThiomorpholin-4-amine 1,1-dioxide4-Thiomorpholinamine,1,1-dioxide(9CI)4-Aminothiomorpholine 1,1-Dioxide >4-amino-1lambda6-thiomorpholine-1,1-dione4-aMino-1$l^{6},4-thioMorpholine-1,1-dione

4-Aminothiomorpholine 1,1- dioxide4-AMINOTHIOMORPHOLINE1,1-DIOXIDE4-aminothiomorpholine-1,1-dioxide4-amino-4H-tetrahydro-1,4-thiazine-1,1-dioxideSCHEMBL661740SCHEMBL22485611,1-Dioxo-4-thiomorpholinamine4-Amino-1,1-dioxothiomorpholine

Database identifiers

CAS: 26494-76-8
PubChem CID: 12708263
DTXSID: DTXSID50507574

Properties

Computed structural properties

XLogP: -1.3
Topological polar surface area: 71.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 0
Heavy atoms: 9
Formal charge: 0
Complexity: 167

Physicochemical properties

Melting point: 100 °C · 100 °C
Boiling point: 356 · 356.0±35.0 °C(Predicted)
Density: 1.345 · 1.345±0.06 g/cm3(Predicted)
solubility: soluble in Methanol
form: powder to crystal
pka: 5.11 · 5.11±0.20(Predicted)
color: White to Almost white
Symbol(GHS): 5 · GHS05,GHS07
Signal word: Danger
Hazard statements: 302 · H302-H314
Precautionary statements: 260 · P260-P264-P270-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P330-P363-P405-P501
HS Code: 2934.99 · 2934.99.9001

Safety & regulation

Safety data

hs_code: 2934.99.9001
Signal word: Danger
Symbol(GHS): GHS05,GHS07
Hazard statements: H302-H314
Precautionary statements: P260-P264-P270-P280-P301+P312-P301+P330+P331-P303+P361+P353-P304+P340-P305+P351+P338-P310-P321-P330-P363-P405-P501