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2,4-Dichloro-5-(methylsulfanyl)pyrimidine

2,4-Dichloro-5-(methylsulfanyl)pyrimidine - CAS 7401-98-1

Catalog:	BB044619
Product Name:	2,4-Dichloro-5-(methylsulfanyl)pyrimidine
CAS:	7401-98-1
Synonyms:	2,4-dichloro-5-(methylthio)pyrimidine; Pyrimidine, 2,4-dichloro-5-(methylthio)-; NSC54668

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	2,4-dichloro-5-methylsulfanylpyrimidine
Description:	2,4-Dichloro-5-(methylsulfanyl)pyrimidine (CAS# 7401-98-1 ) is a useful research chemical.
Molecular Weight:	195.07
Molecular Formula:	C5H4Cl2N2S
Canonical SMILES:	CSC1=CN=C(N=C1Cl)Cl
InChI:	InChI=1S/C5H4Cl2N2S/c1-10-3-2-8-5(7)9-4(3)6/h2H,1H3
InChI Key:	PQLHCTKAQZYUMI-UHFFFAOYSA-N
Boiling Point:	282.7±25.0 °C (Predicted)
Purity:	≥ 95 %
Density:	1.51±0.1 g/cm³ (Predicted)

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Related Functional Groups

Halides

[333311-69-6]
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[4860-03-1]
1-Chlorohexadecane
[111-85-3]
1-Chlorooctane
[199114-62-0]
2-(Chloromethyl)-3-methylquinazolin-4(3H)-one
[1431966-58-3]
2,2-Difluoro-N-(2-morpholin-4-ylethyl)ethanamine dihydrochloride

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[832739-73-8]
4-(3,5-Dichlorophenyl)pyrimidine-2-thiol
[451-46-7]
Ethyl 4-fluorobenzoate
[551-62-2]
1,2,3,4-Tetrafluorobenzene
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine

Sulfur Compounds

[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[85-47-2]
1-Naphthalenesulfonic acid
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[162894-76-0]
2-Hydroxyethane-1-sulfonamide
[1005626-64-1]
3-(1,3-Dimethylpyrazol-4-yl)-5-[(1-methylpyrazol-4-yl)methylidene]-2-sulfanylideneimidazolidin-4-one
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt

GHS Hazard Statement:	H302 (67.24%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (32.76%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (32.76%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (67.24%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H319 (32.76%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
Precautionary Statement:	P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P330, P332+P317, P337+P317, P362+P364, and P501
Signal Word:	Danger

Complexity:	114
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	193.9472247
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	193.9472247
Rotatable Bond Count:	1
Topological Polar Surface Area:	51.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.6