2-(4-Morpholinodithio)benzothiazole

C₁₁H₁₂N₂OS₃CAS 95-32-9284.41 g/mol

Open in Covalent MOL file

Disulfide Ether Tertiary amine

Properties

Molecular formula: C₁₁H₁₂N₂OS₃
Molar mass: 284.41 g/mol
Exact mass: 284.0112 Da
Melting point: 125 °C
logP: 3.28Crippen estimate
Polar surface area: 25.4 Å²
H-bond donors / acceptors: 0 / 6
Rotatable bonds: 3

Identifiers

CAS number

95-32-9

SMILES

c1ccc2sc(SSN3CCOCC3)nc2c1

InChIKey

QRYFCNPYGUORTK-UHFFFAOYSA-N

InChI

InChI=1S/C11H12N2OS3/c1-2-4-10-9(3-1)12-11(15-10)16-17-13-5-7-14-8-6-13/h1-4H,5-8H2

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Type any one amount. The others follow from the molar mass.

Names and synonyms

21 names · show all

Benzothiazole, 2-(4-morpholinyldithio)-
Benzothiazole, 2-(morpholinodithio)-
2-(4-Morpholinyldithio)benzothiazole
Morfax
2-(Morpholinodithio)benzothiazole
2-Benzothiazolyl morpholino disulfide
N-(4-Morpholinyl) 2-benzothiazolyl disulfide
Morpholino 2-benzothiazolyl disulfide
Vulcuren 2
2-Benzothiazolyl 4-morpholinyl disulfide
Accel DS
Nocceler MDB
Disulfal MG
NSC 519695
Nocceler MDB-P
N-(2-Benzothiazolyldithio)morpholine
Accelerator 26
Accelerator MDB
Accelerator DS
MDB
4-Morpholinyl-2-benzothiazole disulfide

Work with 2-(4-Morpholinodithio)benzothiazole

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2-(4-Morpholinothio)benzothiazole102-77-274 % similar Accelerator dm120-78-558 % similar 2-(Methylthio)benzothiazole615-22-546 % similar Tcmtb21564-17-044 % similar N,N-Dicyclohexyl-2-benzothiazolesulfenamide4979-32-244 % similar 2-(2-Benzothiazolylthio)acetic acid6295-57-442 % similar Accelerator cz95-33-041 % similar N-(1,1-Dimethylethyl)-2-benzothiazolesulfenamide95-31-840 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Elsewhere

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