4-Chloro-2-[(4-chlorobenzyl)sulfanyl]-6-(methoxymethyl)pyrimidine
Basic information
- CAS
886361-61-1- Standard SMILES
COCc1cc(Cl)nc(SCc2ccc(Cl)cc2)n1- InChIKey
IXYPSNVGRZGGDR-UHFFFAOYSA-N- Molecular formula
- C13H12Cl2N2OS
- Average molar mass
- 315.2 g/mol
- Monoisotopic mass
- 314.0047396
Names & identifiers
- Preferred name
- 4-Chloro-2-[(4-chlorobenzyl)sulfanyl]-6-(methoxymethyl)pyrimidine
- IUPAC
- 4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidine
- English name
- 4-Chloro-2-[(4-chlorobenzyl)sulfanyl]-6-(methoxymethyl)pyrimidine
- Molecular formula
- C13H12Cl2N2OS
- Molecular weight
- 315.22
Names & synonyms
886361-61-14-chloro-2-[(4-chlorobenzyl)sulfanyl]-6-(methoxymethyl)pyrimidineMFCD080566214-chloro-2-{[(4-chlorophenyl)methyl]sulfanyl}-6-(methoxymethyl)pyrimidine4-Chloro-2-((4-chlorobenzyl)thio)-6-(methoxymethyl)pyrimidine4-chloro-2-[(4-chlorophenyl)methylsulfanyl]-6-(methoxymethyl)pyrimidine4-chloro-2-[(4-chlorobenzyl)sulfanyl]-6- (methoxymethyl)pyrimidineDTXSID301155736AKOS0050702233M-570S4-Chloro-2-[[(4-chlorophenyl)methyl]thio]-6-(methoxymethyl)pyrimidinePyrimidine, 4-chloro-2-[[(4-chlorophenyl)methyl]thio]-6-(methoxymethyl)-
Database identifiers
- CAS
886361-61-1- PubChem CID
- 18525992
- DTXSID
DTXSID301155736
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 60.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 265
Physicochemical properties
- Melting point
- 80 · 80-82°
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
- HazardClass
- IRRITANT
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_class
- IRRITANT
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Related reactions
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Compound notes
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