Compound C11H18ClN5O2S

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

CAS: 56223-59-7

Molecular Formula	`C11H18ClN5O2S`
Molecular Weight	319.81 g/mol
Topological Polar Surface Area	109.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	6
Rotatable Bonds	4
Exact Mass	319.08698
Heavy Atoms	20
Complexity	487.0

Chemical Identifiers

CAS Number	56223-59-7
SMILES	`C[NH+]1C2=C(N=C1SCCCN)N(C(=O)N(C2=O)C)C.[Cl-]`
InChIKey	`RVVCOIMRDPWDGY-UHFFFAOYSA-N`

📖 Product Overview

Compound C11H18ClN5O2S (CAS: 56223-59-7) is a chemical compound with molecular formula C11H18ClN5O2S and molecular weight 319.81 g/mol. Its IUPAC systematic name is 8-(3-aminopropylsulfanyl)-1,3,7-trimethyl-7H-purin-7-ium-2,6-dione chloride. Topological Polar Surface Area 109.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 6 Rotatable Bonds 4 Exact Mass 319.08698 Heavy Atoms 20 Complexity 487.0 InChI Key: RVVCOIMRDPWDGY-UHFFFAOYSA-N. SMILES: C[NH+]1C2=C(N=C1SCCCN)N(C(=O)N(C2=O)C)C.[Cl-].

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