dimethyl[(4-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine

Basic Information

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CAS Number

76963-41-2

Molecular Formula

C12H21N5O2S2

Molecular Weight

331.5 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

130.0 to 134.0 deg-C

Boiling Point

RELATIVE DENSITY

Density

1.249

Flash Point

243

Refractive Index

1.592

SMILES

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CNC(=C[N+](=O)[O-])NCCSCC1=CSC(=N1)CN(C)C

InChI

InChI=1S/C12H21N5O2S2/c1-13-11(6-17(18)19)14-4-5-20-8-10-9-21-12(15-10)7-16(2)3/h6,9,13-14H,4-5,7-8H2,1-3H3/b11-6+

InChIKey

SGXXNSQHWDMGGP-IZZDOVSWSA-N

LogP

1.1

pKa

2.1, 6.8(at 25℃)

Complexity

349

Safety Information

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GHS Hazard Pictograms

H302

Hazard Statement

H302 Harmful if swallowed
Acute toxicity, oral

Sensitiveness

对空气敏感

Toxicity

LD50 in mice, rats (mg/kg): 265, >300 i.v.; 1685, 1680 orally (Pioch)

Synonyms & References

English

BIDD:GT0761
Nizatidine for system suitability
DB00585
HS-0083
Q1188290
Nizatidine (JP17/USP/INN)
N-{2-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)sulfanyl]ethyl}-N'-methyl-2-nitroethene-1,1-diamine
HMS2094A15
Nizax
BN166185
CHEMBL653
SBI-0206937.P001
EN300-119524
(E)-N-{2-[({2-[(dimethylamino)methyl]-1,3-thiazol-4-yl}methyl)thio]ethyl}-N'-methyl-2-nitroethene-1,1-diamine
LY-139037, Nizatidine
C07270
SCHEMBL770
Niaztidine
GTPL7248
MLS001076680
nizatidine
1,1-Ethenediamine, N'-[2-[[[2-[(dimethylamino)methyl]-4-thiazolyl]methyl]thio]ethyl]-N-methyl-2-nitro-
CCG-100836
Nizatidine, analytical standard
NCGC00016934-02
(E)-N-(2-((2-((dimethylamino)methyl)thiazol-4-yl)methylthio)ethyl)-N-methyl-2-nitroethene-1,1-diamine
Z1521553983
HMS2235N05
Pharmakon1600-01505985
Zanizal
Acinon (TN)

MDL Number

MFCD00865660

Customs Code

2934999090

FAQ

What is dimethyl[(4-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine (CAS: 76963-41-2)?

Dimethyl[(4-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine (CAS: 76963-41-2) is a complex organic compound containing a thiazole ring and multiple functional groups, including nitro, amino, and sulfanyl. Its molecular formula is C10H14N5O2S2, and it exhibits characteristics typical of thiazole derivatives, such as reactivity and potential pharmaceutical relevance.

What are the main uses of dimethyl[(4-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine (CAS: 76963-41-2)?

This compound is primarily used in pharmaceutical research as an intermediate for developing drugs targeting metabolic disorders. It may also find applications in organic synthesis due to its functional groups, and its derivatives are explored for medicinal chemistry purposes. Specific industrial or food applications are not widely documented.

Is dimethyl[(4-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine (CAS: 76963-41-2) safe?

Safety data for this compound is limited, but as a chemical with nitro and amino groups, it requires careful handling. Precautions include wearing protective gloves, goggles, and clothing to avoid skin or respiratory exposure. It should be considered hazardous under standard safety protocols, and its use should comply with OSHA and EPA guidelines for chemical handling.

How should dimethyl[(4-{[(2-{[1-(methylamino)-2-nitroethenyl]amino}ethyl)sulfanyl]methyl}-1,3-thiazol-2-yl)methyl]amine (CAS: 76963-41-2) be stored?

Store in a sealed, cool (below 25°C), and dry environment, away from direct light. Keep in airtight containers to prevent moisture absorption, which may affect stability. Ensure proper ventilation and avoid storage near incompatible materials to maintain chemical integrity.