4,6 dichloro-5 amine - 2 - (propylthio) pyrimidine

CAS Number: 145783-15-9

Molecular Formula: C7H9N3S

Purity: 4,6-dichloro-5 amine - 2 - (propylthio) pyrimidine 98% purity

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About 4,6 dichloro-5 amine - 2 - (propylthio) pyrimidine

4,6-Dichloro-2-(propylthio)pyrimidin-5-amine (CAS 145783-15-9) is a critical building block in the North American API intermediates market, primarily utilized for the synthesis of Ticagrelor where Pharma/API purity 99% is essential to meet stringent FDA standards. 5-Amino-4,6-dichloro-2-(propylsulfanyl)pyrimidine serve...

4,6 dichloro-5 amine - 2 - (propylthio) pyrimidine Specifications

CAS Number

145783-15-9

Molecular Formula

C7H9N3S

Molecular Weight

238.14 g/mol

IUPAC Name

4,6-dichloro-2-propylsulfanylpyrimidin-5-amine

Canonical SMILES

CCSC1=NC(=C(C(=N1)Cl)N)Cl

InChI Key

FCMLONIWOAGZJX-UHFFFAOYSA-N

InChI

InChI=1S/C7H9Cl2N3S/c1-2-3-13-7-11-5(8)4(10)6(9)12-7/h2-3,10H2,1H3

EINECS Number

808-051-8

MDL Number

MFCD01941299

HSN No

29339990

CAS Number

145783-15-9

Molecular Formula

C7H9N3S

Molecular Weight

238.14 g/mol

IUPAC Name

4,6-dichloro-2-propylsulfanylpyrimidin-5-amine

Canonical SMILES

CCSC1=NC(=C(C(=N1)Cl)N)Cl

InChI Key

FCMLONIWOAGZJX-UHFFFAOYSA-N

InChI

InChI=1S/C7H9Cl2N3S/c1-2-3-13-7-11-5(8)4(10)6(9)12-7/h2-3,10H2,1H3

EINECS Number

808-051-8

MDL Number

MFCD01941299

HSN No

29339990

Molecular Weight

238.14 g/mol

Purity

4,6-dichloro-5 amine - 2 - (propylthio) pyrimidine 98% purity

Melting Point

29-33 °C

Boiling Point

334.0±45.0 °C at 760 mmHg (Predicted)

Freezing point

29-33°C

Flash Point

155.8±26.5 °C

Density

1.6662 (rough estimate)

Precise Quality

145783-15-9

PSA

77.1 Å²

logP

3.2

Average mass

238.14 g/mol

Monoisotopic mass

236.989426 Da

Molar mass

224.11 g/mol

Vapour pressure

0 mmHg at 25 °C

Precautionary Statement Codes

P264, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501

Hazard Classes and Categories

Acute Tox. 4 (40%) Skin Irrit. 2 (20%)

Pharmaceutical Intermediate

An important building block and precursor primarily utilized in the multi-step synthesis of Ticagrelor, a reversible P2Y12 receptor antagonist used as an antithrombotic agent for cardiovascular health

Agrochemical Intermediate

A versatile heterocyclic building block employed in the development and formulation of specialized herbicides and crop protection agents

Organic Synthesis Building Block

A functionalized pyrimidine derivative used in medicinal chemistry research for the preparation of various purine analogs, nucleosides, and complex nitrogen-containing heterocycles with potential pharmacological activities.