4,6-Dichloro-2-(methylsulfanyl)pyrimidin-5-amine

HCID 57742486CAS 333388-03-7

Substructure search Find similar structures

Basic information

Standard SMILES: CSc1nc(Cl)c(N)c(Cl)n1
InChIKey: RYDZQZVTGOIZNX-UHFFFAOYSA-N
Molecular formula: C5H5Cl2N3S
Average molar mass: 210.08 g/mol

Names & identifiers

Preferred name: 4,6-Dichloro-2-(methylsulfanyl)pyrimidin-5-amine
IUPAC: 4,6-dichloro-2-methylsulfanylpyrimidin-5-amine
English name: 4,6-Dichloro-2-(methylthio)-5-pyrimidineamine
Molecular formula: C5H5Cl2N3S
Molecular weight: 210.08

Names & synonyms

333388-03-74,6-dichloro-2-(methylsulfanyl)pyrimidin-5-amineRefChem:507970897-723-44,6-Dichloro-2-(methylthio)-5-pyrimidineamine4,6-Dichloro-2-(methylthio)pyrimidin-5-amineMFCD246463774,6-dichloro-2-methylsulfanylpyrimidin-5-amine4,6-Dichloro-2-(methylthio)-5-pyrimidinamine4,6-dichloro-2-methylsulfanyl-pyrimidin-5-ylamineSCHEMBL1061788RYDZQZVTGOIZNX-UHFFFAOYSA-N

Show more names

5-Pyrimidinamine, 4,6-dichloro-2-(methylthio)-

SB60720BS-51421SY074981DB-153079CS-0045974E767374,6-dichloro-2-(methylthio) pyrimidin-5-amine4,6-dichloro-2-methylsulfanyl-pyrimidin-5-amine

Database identifiers

CAS: 333388-03-7
PubChem CID: 57742486
EC Number: 897-723-4

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 77.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 11
Formal charge: 0
Complexity: 125

Physicochemical properties

Boiling point: 310.6 · 310.6±37.0 °C(Predicted)
Density: 1.59 · 1.59±0.1 g/cm3(Predicted)
pka: -3.57 · -3.57±0.39(Predicted)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 280 · P280-P305+P351+P338
HS Code: 2933599590 · 2933599590

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.