1450-85-7

Basic information

• Product Name: 2-Mercaptopyrimidine
• Synonyms: 2-MERCAPTOPYRIMIDINE;2-PYRIMIDINETHIOL;PYRIMIDINE-2-THIOL;TIMTEC-BB SBB007595;2-PYRIMIDINETHIOL 95%;2-MERCAPTOPYRIMIDINE, 98+%;2-sulfhydyl-pyrimidine(2-mercapyrimidine);2(1H)-Pyrimidinethione (8CI,9CI)
• CAS NO: 1450-85-7
• Molecular Formula: C₄H₄N₂S
• Molecular Weight: 112.15
• EINECS: 215-917-3
• Product Categories: PYRIMIDINE
• Mol File: 1450-85-7.mol
• Article Data: 8

Chemical Properties

• Melting Point: 230 °C (dec.)(lit.)
• Boiling Point: 191.3 °C at 760 mmHg
• Flash Point: 69.5 °C
• Appearance: Yellow/Powder
• Density: 1.273 (estimate)
• Vapor Pressure: 0.519mmHg at 25°C
• Refractive Index: 1.5500 (estimate)
• Storage Temp.: -20°C
• PKA: 7.11±0.10(Predicted)
• BRN: 107105
• CAS DataBase Reference: 2-Mercaptopyrimidine(CAS DataBase Reference)
• NIST Chemistry Reference: 2-Mercaptopyrimidine(1450-85-7)
• EPA Substance Registry System: 2-Mercaptopyrimidine(1450-85-7)

Safety Data

• Hazard Codes: Xn
• Statements: 36/37/38-63-20/21/22
• Safety Statements: 22-24/25-36/37
• RIDADR: UN 3335
• WGK Germany: 3
• F: 13
• TSCA: Yes
• Hazardous Substances Data: 1450-85-7(Hazardous Substances Data)

Usage

Chemical Properties

YELLOW POWDER

Uses

2-Pyrimidinethiol has been used to study the highly selective palladium catalyzed kinetic resolutions of the racemic cyclic allylic carbonates and racemic acyclic allylic carbonates. It has also been used to study the photodegradation of 2-pyrimidinethiol in aerated aqueous solution using zinc oxide.

Definition

ChEBI: Pyrimidine substituted at C-2 by a sulfanyl group.

InChI:InChI=1/C4H4N2S/c7-4-5-2-1-3-6-4/h1-3H,(H,5,6,7)

Upstream product

• 122-31-6 malondialdehyde bis(diethyl acetal) 
• 15718-46-4 2,2'-dipyrimidyl disulfide 
• 102-52-3 malonaldehydebis(dimethylacetal) 
• 598-52-7 1-(methyl)-thiourea 
• 1722-12-9 2-chloropyrimidine 
• 84358-82-7 2-(tert-butylthio)pyrimidine 
• 10348-83-1 3t-phenoxy-acrylaldehyde 
• 17356-08-0 thiourea 
• 34899-98-4 (E)-3-(diethylamino)acrylaldehyde 

Downstream Products

• 88768-45-0 2-(carboxymethylthio)pyrimidine 
• 823-09-6 2-(methylsulfanyl)pyrimidine 
• 142047-90-3 pyrimidine-2-sulfonamide 
• 66702-61-2 2-(4-chloro-phenyl)-3-oxo-2,3-dihydro-thiazolo[3,2-a]pyrimidinylium betaine 
• 10132-25-9 2-(ethylsulfanyl)pyrimidine 
• 83335-28-8 2-pyrimidinyl vinyl sulfide 
• 7431-45-0 2-phenylpyrimidine 
• 122201-82-5 copper(I)(pyrimidine-2-thione)-bis(triphenylphosphine) bromide 
• 132461-11-1 {Au(I)(1H-pyridimine-2-thionate)(triphenylphosphine)} 
• 147998-61-6 {Au(P(C₆H₁₁)3)(SC₄H₃N₂)} 
• 129485-21-8 chloro(2-mercaptopyrimidine)bis(triphenylphosphine)silver(I) 
• 216757-15-2 Bu4N[Pt(C6F5)2(η(2)-pyrimidine-2-thiolate)] 
• 216757-07-2 Bu4N[Pd(C6F5)2(η(2)-pyrimidine-2-thiolate)] 
• 485812-13-3 [CuBr(1,3-propanebis(diphenylphosphine))(pyrimidine-2-thione)] 

Relevant articles and documents

Spectroscopic and computational investigation of the ground and low excited states of some symmetrical heterocyclic disulfides

The electronic absorption and emission spectra of some symmetrical heterocyclic disulfides are investigated. The reversible disulfide - thione transformation in water is discussed in view of the complex equilibrium processes present. UV irradiation and pH influence on the above transformation is also studied. The emission properties at room and low temperature are related to the computed molecular geometries of the ground and low excited states of the compounds.

Topical compositions comprising protected functional thiols

This invention relates to a topical composition for treating amino acid based substrates comprising a protected thiol compound having the formula R—(S—Pr) m where R is a functional group, S is sulfur, and Pr is a heterocyclic protecting group, and m is an integer between 1 and 100. The invention further relates to systems which comprise this protected thiol compound and an activating mechanism. The protected thiol compounds of the present invention may be used in hair care compositions, textile care compositions, cosmetic compositions, oral care compositions, skin care, nail care, laundry care, acne care and animal care compositions. Preferred embodiments of the present invention provide a modified UV absorber and a modified antioxidant, methods for making them and compositions conprising them.

Thione-Disulfide Interchange of some Heterocyclic Tautomeric Thiones and their Symmetrical Bisulfides

The UV/Vis spectroscopic properties of some symmetrical disulfides derived from potentially tautomeric thiones are investigated. Reversed thione-disulfide transformation is observed, and the influence of several factors including the nature of solvent, concentration, and UV irradiation, is studied. Possible implication of the tautomeric thiol form and the importance of this thione-disulfide redox system in biological aspects is suggested. A general scheme including monomer-dimer equilibrium, thione-thiol tautomeric equilibrium, and reversible thiol-disulfide redox behaviour is proposed in order to explain the factors affecting the overall thione-disulfide transformation.