2-Chloro-5-fluoro-4-(methylthio)pyrimidine - CAS 87789-51-3

Name: 2-Chloro-5-fluoro-4-(methylthio)pyrimidine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB038635
Product Name:	2-Chloro-5-fluoro-4-(methylthio)pyrimidine
CAS:	87789-51-3
Synonyms:	2-chloro-5-fluoro-4-(methylthio)pyrimidine; 2-chloro-5-fluoro-4-methylsulfanylpyrimidine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	2-chloro-5-fluoro-4-methylsulfanylpyrimidine
Description:	2-Chloro-5-fluoro-4-(methylthio)pyrimidine (CAS# 87789-51-3) is a useful research chemical.
Molecular Weight:	178.62
Molecular Formula:	C5H4ClFN2S
Canonical SMILES:	CSC1=NC(=NC=C1F)Cl
InChI:	InChI=1S/C5H4ClFN2S/c1-10-4-3(7)2-8-5(6)9-4/h2H,1H3
InChI Key:	JORGKVXNFHVPKA-UHFFFAOYSA-N
LogP:	1.99100

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Flexible batch size for diverse industrial demands

Related Functional Groups

Other Pyrimidines

[479552-94-8]C8H5F3N2O3S
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[1183749-69-0]C10H8N2O2
2-(pyrimidin-2-yloxy)phenol
[927800-47-3]C10H4Cl4FN
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[451-46-7]C9H9FO2
Ethyl 4-fluorobenzoate
[207605-39-8]C8H2F5NO2
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[67490-21-5]C16H28N2
2,4,6-Tri-tert-butylpyrimidine

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021074620-A1	[1,4]oxazepino[2,3-c]qui noli none derivatives as blc6 inhibitors	20191014
WO-2020023813-A1	Pyrrolo[2,3-b]pyridin derivatives as inhibitors of influenza virus replication	20180727
TW-202019927-A	Inhibitor of influenza virus replication	20180727
AU-2019311117-A1	Pyrrolo(2,3-b)pyridin derivatives as inhibitors of influenza virus replication	20180727
CN-112638477-A	Pyrrolo [2,3-B ] pyridine derivatives as inhibitors of influenza virus replication	20180727

Complexity:	116
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	177.9767752
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	177.9767752
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.1 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1