Ethanethiol, 2-((3-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)propyl)amino)-, dihydrogen phosphate (ester), hydrate (1:2)

2-[3-(1-adamantylamino)propylamino]ethylsulfanylphosphonic acid;dihydrate

CAS: 88313-60-4

Molecular Formula	`C15H33N2O5PS`
Molecular Weight	384.5 g/mol
Topological Polar Surface Area	109.0 A2
Hydrogen Bond Donors	6
Hydrogen Bond Acceptors	8
Rotatable Bonds	9
Exact Mass	384.18478
Heavy Atoms	24
Complexity	388.0

Chemical Identifiers

CAS Number	88313-60-4
SMILES	`C1C2CC3CC1CC(C2)(C3)NCCCNCCSP(=O)(O)O.O.O`
InChIKey	`WSWOSDJXYNYUCD-UHFFFAOYSA-N`

📖 Product Overview

Ethanethiol, 2-((3-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)propyl)amino)-, dihydrogen phosphate (ester), hydrate (1:2) (CAS: 88313-60-4) is a chemical compound with molecular formula C15H33N2O5PS and molecular weight 384.5 g/mol. Its IUPAC systematic name is 2-[3-(1-adamantylamino)propylamino]ethylsulfanylphosphonic acid;dihydrate. Topological Polar Surface Area 109.0 A2 Hydrogen Bond Donors 6 Hydrogen Bond Acceptors 8 Rotatable Bonds 9 Exact Mass 384.18478 Heavy Atoms 24 Complexity 388.0 InChI Key: WSWOSDJXYNYUCD-UHFFFAOYSA-N. SMILES: C1C2CC3CC1CC(C2)(C3)NCCCNCCSP(=O)(O)O.O.O.

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for Ethanethiol, 2-((3-(tricyclo(3.3.1.1(sup 3,7))dec-1-ylamino)propyl)amino)-, dihydrogen phosphate (ester), hydrate (1:2).

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