5-Methylpyrimidine-2-thiol - CAS 1007553-38-9

Catalog:	BB048829
Product Name:	5-Methylpyrimidine-2-thiol
CAS:	1007553-38-9
Synonyms:	5-methylpyrimidine-2(1h)-thione; 2-Mercapto-5-methylpyrimidine; 2(1H)-Pyrimidinethione, 5-methyl-; 5-methyl-1,2-dihydropyrimidine-2-thione; 5-Methyl-2(1H)-pyrimidinethione

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	5-methyl-1H-pyrimidine-2-thione
Description:	5-Methylpyrimidine-2-thiol (CAS# 1007553-38-9 ) is a useful research chemical.
Molecular Weight:	126.18
Molecular Formula:	C5H6N2S
Canonical SMILES:	CC1=CNC(=S)N=C1
InChI:	InChI=1S/C5H6N2S/c1-4-2-6-5(8)7-3-4/h2-3H,1H3,(H,6,7,8)
InChI Key:	UDXSIDQGDWMVDD-UHFFFAOYSA-N
Boiling Point:	201.7±23.0 °C at 760 mmHg
Purity:	≥ 97 %
Density:	1.2±0.1 g/cm³

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Related Functional Groups

Other Pyrimidines

[2367-82-0]
1,2,3,5-Tetrafluorobenzene
[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[452-76-6]
2,4-Difluorotoluene
[2696462-69-6]
4-(4-Aminopyrimidin-2-yl)-2-methyl-1-(2-trimethylsilylethoxymethyl)pyrazol-3-one
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[451-46-7]
Ethyl 4-fluorobenzoate

Sulfur Compounds

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[6633-90-5]
1,4-Butanedithiol diacetate
[85-47-2]
1-Naphthalenesulfonic acid
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[874-87-3]
4-(Methylthio)benzyl chloride
[21124-33-4]
Ammonium diethyldithiocarbamate

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; 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+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	169
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	126.02516937
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	126.02516937
Rotatable Bond Count:	0
Topological Polar Surface Area:	56.5
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.3