 Home > Encyclopedia > 8-(3-aminopropylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;chloride

8-(3-aminopropylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;chloride

8-(3-aminopropylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;chloride structure

CAS No:
56223-59-7
Formula:
C11H18ClN5O2S
Chemical Name:
8-(3-aminopropylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;chloride
Synonyms:
8-((3-Aminopropyl)thio)caffeine hydrochloride;CAFFEINE, 8-((3-AMINOPROPYL)THIO)-, HYDROCHLORIDE;1H-Purine-2,6-dione, 3,7-dihydro-8-((3-aminopropyl)thio)-1,3,7-trimethyl-, hydrochloride;56223-59-7

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8-(3-aminopropylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;chloride Basic Attributes

Molecular Weight：

319.81 g/mol

Exact Mass：

319.0869737 g/mol

Characteristics

PSA：

109 Å²

Computed Properties

Molecular Weight:319.81
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:319.0869737
Monoisotopic Mass:319.0869737
Topological Polar Surface Area:109
Heavy Atom Count:20
Complexity:488
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 8-(3-aminopropylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione;chloride

Basic Attributes
Characteristics
Computed Properties

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