4-Amino-2-(Methylthio)Pyrimidine-5-Carbonitrile - CAS 770-30-9

Catalog:	BB050588
Product Name:	4-Amino-2-(Methylthio)Pyrimidine-5-Carbonitrile
CAS:	770-30-9
Synonyms:	4-amino-2-(methylsulfanyl)pyrimidine-5-carbonitrile; 4-Amino-5-cyano-2-(methylthio)pyrimidine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	4-amino-2-methylsulfanylpyrimidine-5-carbonitrile
Description:	4-Amino-2-(Methylthio)Pyrimidine-5-Carbonitrile (CAS# 770-30-9 ) is a useful research chemical.
Molecular Weight:	166.21
Molecular Formula:	C6H6N4S
Canonical SMILES:	CSC1=NC=C(C(=N1)N)C#N
InChI:	InChI=1S/C6H6N4S/c1-11-6-9-3-4(2-7)5(8)10-6/h3H,1H3,(H2,8,9,10)
InChI Key:	VYDHBDPZNLVELI-UHFFFAOYSA-N
Boiling Point:	400.0±27.0 °C (Predicted)
Melting Point:	240-242 °C
Purity:	97 %
Density:	1.39±0.1 g/cm³(Predicted)
Appearance:	Powder

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Related Functional Groups

Amines and Anilines

[556-90-1]
Pseudothiohydantoin
[1158353-54-8]
(4-Pyrazol-1-ylphenyl)methanamine sulfuric acid
[1855911-19-1]
1-(4-Bromo-2-ethylpyrazol-3-yl)-N-methylmethanamine hydrochloride
[42150-24-3]
2-(4-Pyrazolyl)ethylamine
[6397-33-7]
2-(Isopropylthio)aniline
[202288-73-1]
2-(Pyridin-3-ylmethoxy)aniline dihydrochloride

Other Pyrimidines

[479552-94-8]
1H-Pyrrolo[2,3-b]pyridin-4-yl trifluoromethanesulfonate
[150517-77-4]
3-Fluoro-5-(trifluoromethyl)benzylamine
[13566-71-7]
4(3H)-Pyrimidinone,6-hydroxy-2-phenyl-
[927800-47-3]
4-Chloro-6-fluoro-2-trichloromethyl-quinoline
[1632145-37-9]
3-Methyl-3-(perfluoropyridin-4-yl)-1,5-dioxaspiro[5.5]undecane-2,4-dione
[1160246-50-3]
2-((4-(P-Tolyl)-6-(trifluoromethyl)pyrimidin-2-yl)oxy)ethanamine

Sulfur Compounds

[518012-62-9]
[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]p-toluenesulfonate
[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[832739-83-0]
3-[(4-Chlorophenyl)sulfonyl]-5-methoxyaniline
[862649-86-3]
3-[(4-Chlorophenyl)sulfonyl]-5-nitrophenol
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[2170450-99-2]
4-Methyl-1-(phenylsulfonyl)-1H-indole-2-carbonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (11.63%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (11.63%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (11.63%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (11.63%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (11.63%): 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:	175
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	166.03131738
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	166.03131738
Rotatable Bond Count:	1
Topological Polar Surface Area:	101
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1