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Thiochrome

Thiochrome structure

CAS No:
92-35-3
Formula:
C12H14N4OS
Chemical Name:
Thiochrome
Synonyms:
5H-Pyrimido[4,5-d]thiazolo[3,2-a]pyrimidine-8-ethanol,2,7-dimethyl-;Thiachromine-8-ethanol,2,7-dimethyl-;Thiochrome;2,7-Dimethyl-5H-pyrimido[4,5-d]thiazolo[3,2-a]pyrimidine-8-ethanol;NSC 56339;2-(2,7-Dimethyl-5H-pyrimido[4,5-d]thiazolo[3,2-a]pyrimidin-8-yl)ethanol;51810-67-4
Categories:
Analytical Chemistry > Standard

Description

Thiochrome, a natural oxidation product and metabolite of thiamine, is a selective M4 muscarinic receptor of acetylcholine (ACh) affinity enhancer. Thiochrome has neutral cooperativity with ACh at M1 to M3 receptors[1][2].

Thiochrome Basic Attributes

Molecular Weight：

262.33

Exact Mass：

262.33

EC Number：

202-149-9

UNII：

65UT4V5Z34

NSC Number：

56339

DSSTox ID：

DTXSID3059052

HScode：

2934999090

Characteristics

PSA：

86.9

XLogP3：

0.52090

Density：

1.49g/cm3

Melting Point：

228.8 °C

Boiling Point：

462.6ºC at 760 mmHg

Flash Point：

233.5ºC

Refractive Index：

1.752

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

hazard class code：

36/37/38

safety instructions：

26-36

Marks：

Precautionary statement(s)：

P261-P305 + P351 + P338

Hazard Statements：

H315-H319-H335

GHS Classification：

|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

2,7-dimethylthiochromine-8-ethanol

Thiochrome Use and Manufacturing

Manufacturing Info：

5H-Pyrimido[4,5-d]thiazolo[3,2-a]pyrimidine-8-ethanol, 2,7-dimethyl-: INACTIVE

Computed Properties

Molecular Weight:262.33
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:262.08883226
Monoisotopic Mass:262.08883226
Topological Polar Surface Area:86.9
Heavy Atom Count:18
Complexity:409
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes