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2-(Methylthio)adenine

2-(Methylthio)adenine structure

CAS No:
1198-83-0
Formula:
C6H7N5S
Chemical Name:
2-(Methylthio)adenine
Synonyms:
9H-Purin-6-amine,2-(methylthio)-;Adenine,2-(methylthio)-;1H-Purin-6-amine,2-(methylthio)-;2-(Methylthio)-9H-purin-6-amine;2-(Methylthio)adenine;2-Methylthio-6-aminopurine;6-Amino-2-(methylthio)purine;NSC 7235;2-(Methylsulfanyl)-9H-purin-6-amine;3262-50-8

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2-(Methylthio)adenine Basic Attributes

Molecular Weight：

181.217

Exact Mass：

181.22

NSC Number：

7235

DSSTox ID：

DTXSID80152596

HScode：

2933990090

Characteristics

PSA：

106

XLogP3：

0.3

Density：

1.78g/cm3

Melting Point：

295-296 °C (decomp)

Boiling Point：

344.1°C at 760 mmHg

Flash Point：

161.9ºC

Refractive Index：

1.892

Safety Information

Precautionary statement(s)：

P264, P270, P301+P312, P330, P501

Hazard Statements：

H302

GHS Classification：

|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P264, P270, P301+P312, P330, and P501|Aggregated GHS information provided by 38 companies from 1 notifications to the ECHA C&L Inventory.

Computed Properties

Molecular Weight:181.22
XLogP3:0.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:181.04221642
Monoisotopic Mass:181.04221642
Topological Polar Surface Area:106
Heavy Atom Count:12
Complexity:166
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(Methylthio)adenine

Basic Attributes
Characteristics
Safety Information
Computed Properties

2-(Methylthio)adenine

SDS

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