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Thiocarbonyldiimidazole

Thiocarbonyldiimidazole structure

CAS No:
6160-65-2
Formula:
C7H6N4S
Chemical Name:
Thiocarbonyldiimidazole
Synonyms:
Methanethione,di-1H-imidazol-1-yl-;Imidazole,1,1′-(thiocarbonyl)di-;1H-Imidazole,1,1′-carbonothioylbis-;Di-1H-imidazol-1-ylmethanethione;1,1′-(Thiocarbonyl)diimidazole;Thiocarbonyldiimidazole;N,N′-Thiocarbonyldiimidazole;Thiocarbonylbisimidazole;1,1′-(Thiocarbonyl)bis[imidazole];NSC 141692;1-(1H-Imidazol-1-ylcarbothioyl)-1H-imidazole;Diimidazol-1-ylmethanethione;TCDI;Im2CS;Di(1H-imidzazol-1-yl)methanethione;1-(1H-Imidazole-1-carbothioyl)-1H-imidazole;128456-92-8
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

yellow powder

Thiocarbonyldiimidazole Basic Attributes

Molecular Weight：

178.21

Exact Mass：

178.21

EC Number：

228-183-4

UNII：

H8A75XB5AY

NSC Number：

141692

DSSTox ID：

DTXSID70210614

HScode：

2933290090

Characteristics

PSA：

67.7

XLogP3：

0.7

Appearance：

yellow powder

Density：

1.4±0.1 g/cm3

Melting Point：

95 °C

Boiling Point：

390.8°C at 760 mmHg

Flash Point：

190.1±23.2 °C

Refractive Index：

1.730

Water Solubility：

decomposes

Storage Conditions：

2-8ºC

Safety Information

Transport codes：

NONH for all modes of transport

wgk germany：

safety instructions：

S22-S24/25

Marks：

Stability/Shelf Life：

Stable, but air and moisture sensitive. Incompatible with strong oxidizing agents, strong acids.

Precautionary statement(s)：

P260, P261, P264, P270, P271, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P333+P313, P337+P313, P362, P363, P403+P233, P405, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (45.45%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 12 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Drug Information

MeSH Entry Terms：

1,1'-thiocarbonyldiimidazole

Thiocarbonyldiimidazole Use and Manufacturing

1,1’Thiocarbonyldiimidazole can be used to deoxygenate carboxylic monosaccharide analogues.

Computed Properties

Molecular Weight:178.22
XLogP3:0.7
Hydrogen Bond Acceptor Count:3
Exact Mass:178.03131738
Monoisotopic Mass:178.03131738
Topological Polar Surface Area:67.7
Heavy Atom Count:12
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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