5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid, 95%

Name: 5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid
Brand: Chempure

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CAS Number

100130-05-0

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About this item

IUPAC name	5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid
inchi	InChI=1S/C6H7N3O2S/c1-12-6-8-2-3(7)4(9-6)5(10)11/h2H,7H2,1H3,(H,10,11)
inchi key	NTEPDMJNOBYJHJ-UHFFFAOYSA-N
molecular formula	C6H7N3O2S
synonyms	5-amino-2-(methylthio)pyrimidine-4-carboxylic acid 100130-05-0 4-Pyrimidinecarboxylic acid, 5-amino-2-(methylthio)- 5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid 5-amino-2-methylsulfanylpyrimidine-4-carboxylic acid

Computed Properties

Molecular Weight:	185.21 g/mol
XLogP3:	0.8
Hydrogen Bond Donor Count:	2
Hydrogen Bond Acceptor Count:	6
Rotatable Bond Count:	2
Exact Mass:	185.02589765 g/mol
Monoisotopic Mass:	185.02589765 g/mol
Topological Polar Surface Area:	114 Å²
Heavy Atom Count:	12
Formal Charge:	0
Complexity:	178
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	0
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Warning
hazard classes and categories	Acute Tox. 4 (100%) Skin Irrit. 2 (100%) Eye Irrit. 2A (100%) STOT SE 3 (100%)
precautionary statement codes	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
hazard statements	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: AX0496

5-amino-2-(methylsulfanyl)pyrimidine-4-carboxylic acid, 95%

Product No: AX0496

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Product No: AX0496

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NAME AND IDENTIFIERS

CHEMICAL AND PHYSICAL PROPERTIES

SAFETY AND HAZARDS

Require a Sample Certificate of Analysis (COA) ?