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10215-25-5

Basic Information
CAS No.: 10215-25-5
Name: 3,6-THIOXANTHENEDIAMINE-10,10-DIOXIDE
Article Data: 2
Molecular Structure:
Molecular Structure of 10215-25-5 (3,6-THIOXANTHENEDIAMINE-10,10-DIOXIDE)
Formula: C13H12 N2 O2 S
Molecular Weight: 260.316
Synonyms: Thioxanthene-3,6-diamine,10,10-dioxide (7CI,8CI); 3,6-Diaminothioxanthene 10,10-dioxide
Density: 1.468g/cm3
Melting Point: 213-215 °C
Boiling Point: 570.3°Cat760mmHg
Flash Point: 298.7°C
Safety: Poison by intravenous route. When heated to decomposition it emits very toxic fumes of NOx and SOx.
PSA: 94.56000
LogP: 3.83120
Synthetic route
101-77-9

4,4'-diamino diphenyl methane

10215-25-5

3,6-diamino-thioxanthene-10,10-dioxide

Conditions
ConditionsYield
With fuming sulfuric acid at 80℃; for 17h;83%
With sulfuric acid
10215-25-5

3,6-diamino-thioxanthene-10,10-dioxide

106-95-6

allyl bromide

C25H28N2O2S

Conditions
ConditionsYield
With potassium carbonate In acetonitrile at 80℃;81%
10215-25-5

3,6-diamino-thioxanthene-10,10-dioxide

127099-85-8, 780722-26-1

N-Cyanoguanidine

67-64-1

acetone

96615-92-8

C23H28N10O2S*2ClH

Conditions
ConditionsYield
With hydrogenchloride In methanol for 16.8h; Heating;28%
10215-25-5

3,6-diamino-thioxanthene-10,10-dioxide

3,6-diaminoxanthone

Conditions
ConditionsYield
With sodium persulfate In water; N,N-dimethyl-formamide at 80℃; for 9h; Reagent/catalyst;4%
10215-25-5

3,6-diamino-thioxanthene-10,10-dioxide

A

sulfone pyronin

B

sulfone

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: sodium persulfate / water; N,N-dimethyl-formamide / 9 h / 80 °C
2: sodium tetrahydroborate / tetrahydrofuran / 72 h / 4 - 40 °C
View Scheme
10215-25-5

3,6-diamino-thioxanthene-10,10-dioxide

sulfone

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: sodium persulfate / water; N,N-dimethyl-formamide / 9 h / 80 °C
2: sodium tetrahydroborate / tetrahydrofuran / 72 h / 4 - 40 °C
3: acetonitrile; water
View Scheme
10215-25-5

3,6-diamino-thioxanthene-10,10-dioxide

C25H26N2O3S

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: potassium carbonate / acetonitrile / 80 °C
2: chloranil / 1,2-dichloro-ethane / Reflux
View Scheme
10215-25-5

3,6-diamino-thioxanthene-10,10-dioxide

C32H33N2O2S(1+)*C2F3O2(1-)

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: potassium carbonate / acetonitrile / 80 °C
2.1: chloranil / 1,2-dichloro-ethane / Reflux
3.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / -78 - 20 °C / Inert atmosphere
3.2: 20 °C / Inert atmosphere
4.1: dichloromethane / 0.5 h / 20 °C
View Scheme
10215-25-5

3,6-diamino-thioxanthene-10,10-dioxide

C32H34N2O2S

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: potassium carbonate / acetonitrile / 80 °C
2.1: chloranil / 1,2-dichloro-ethane / Reflux
3.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / -78 - 20 °C / Inert atmosphere
3.2: 20 °C / Inert atmosphere
View Scheme
10215-25-5

3,6-diamino-thioxanthene-10,10-dioxide

sulfone rosamine

Conditions
ConditionsYield
Multi-step reaction with 4 steps
1.1: potassium carbonate / acetonitrile / 80 °C
2.1: chloranil / 1,2-dichloro-ethane / Reflux
3.1: n-butyllithium / tetrahydrofuran; hexane / 1 h / -78 - 20 °C / Inert atmosphere
3.2: 20 °C / Inert atmosphere
4.1: 1,3-dimethylbarbituric acid; tetrakis(triphenylphosphine) palladium(0) / 5 h / 20 °C
View Scheme
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  • 3,6-Thioxanthenediamine-10,10-dioxide

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    10215-25-5

    3,6-Thioxanthenediamine-10,10-dioxide

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    high purity Application:Drug intermediates Materials intermediates and active molecules

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Chemistry

Empirical Formula of 3,7-Thiaxanthenediamine-5,5-dioxide (CAS NO.10215-25-5): C13H12N2O2S
Molecular Weight: 260.3116 g/mol
EINECS: 233-527-1
Index of Refraction: 1.721
Density: 1.468 g/cm3
Flash Point: 298.7 °C
Enthalpy of Vaporization: 85.55 kJ/mol
Boiling Point: 570.3 °C at 760 mmHg
Vapour Pressure: 5.09E-13 mmHg at 25 °C
Structure of 3,7-Thiaxanthenediamine-5,5-dioxide (CAS NO.10215-25-5):
                     
IUPAC Name: 10,10-Dioxo-9H-thioxanthene-3,6-diamine
Canonical SMILES: C1C2=C(C=C(C=C2)N)S(=O)(=O)C3=C1C=CC(=C3)N
InChI: InChI=1S/C13H12N2O2S/c14-10-3-1-8-5-9-2-4-11(15)7-13(9)18(16,17)12(8)6-10/h1-4,6-7H,5,14-15H2
InChIKey: UPVRZVIJGVFROW-UHFFFAOYSA-N

Toxicity Data With Reference

1.    

ivn-mus LD50:56 mg/kg

    CSLNX*    U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) NX#01363 .

Consensus Reports

Reported in EPA TSCA Inventory.

Safety Profile

Poison by intravenous route. When heated to decomposition 3,7-Thiaxanthenediamine-5,5-dioxide (CAS NO.10215-25-5) emits very toxic fumes of NOx and SOx.

Specification

 3,7-Thiaxanthenediamine-5,5-dioxide , its cas register number is 10215-25-5. It also can be called 9H-Thioxanthene-3,6-diamine, 10,10-dioxide ; and 9H-Thioxanthene-3,7-diamine, 5,5-dioxide .