6-Methyl-2-(methylthio)pyrimidin-4(3H)-one - CAS 6328-58-1

Catalog:	BB032087
Product Name:	6-Methyl-2-(methylthio)pyrimidin-4(3H)-one
CAS:	6328-58-1
Synonyms:	4-methyl-2-(methylthio)-1H-pyrimidin-6-one; 4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-methyl-2-methylsulfanyl-1H-pyrimidin-6-one
Description:	6-Methyl-2-(methylthio)pyrimidin-4(3H)-one (CAS# 6328-58-1) is a useful research chemical.
Molecular Weight:	156.21
Molecular Formula:	C6H8N2OS
Canonical SMILES:	CC1=CC(=O)NC(=N1)SC
InChI:	InChI=1S/C6H8N2OS/c1-4-3-5(9)8-6(7-4)10-2/h3H,1-2H3,(H,7,8,9)
InChI Key:	OCOHPSHRDKBGOZ-UHFFFAOYSA-N
Boiling Point:	259.2 °C at 760 mmHg
Density:	1.3 g/cm³
MDL:	MFCD00127898
LogP:	1.21250

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Related Functional Groups

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[451-46-7]
Ethyl 4-fluorobenzoate
[207605-39-8]
trans-2,3,4,5,6-Pentafluoro-β-nitrostyrene
[1489-53-8]
1,2,3-Trifluorobenzene

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	220
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.03573406
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.03573406
Rotatable Bond Count:	1
Topological Polar Surface Area:	66.8
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6