SCHEMBL13074506

5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol

CAS: 944070-25-1

Molecular Formula	`C8H13NO4S`
Molecular Weight	219.26 g/mol
LogP	-1.1
Topological Polar Surface Area	108.0 A2
Hydrogen Bond Donors	3
Hydrogen Bond Acceptors	6
Rotatable Bonds	1
Exact Mass	219.05653
Heavy Atoms	14
Complexity	260.0

Chemical Identifiers

CAS Number	944070-25-1
SMILES	`CC1=NC2C(C(C(OC2S1)CO)O)O`
InChIKey	`DRHXTSWSUAJOJZ-UHFFFAOYSA-N`

📖 Product Overview

SCHEMBL13074506 (CAS: 944070-25-1) is a chemical compound with molecular formula C8H13NO4S and molecular weight 219.26 g/mol. Its IUPAC systematic name is 5-(hydroxymethyl)-2-methyl-5,6,7,7a-tetrahydro-3aH-pyrano[3,2-d][1,3]thiazole-6,7-diol. LogP -1.1 Topological Polar Surface Area 108.0 A2 Hydrogen Bond Donors 3 Hydrogen Bond Acceptors 6 Rotatable Bonds 1 Exact Mass 219.05653 Heavy Atoms 14 Complexity 260.0 InChI Key: DRHXTSWSUAJOJZ-UHFFFAOYSA-N. SMILES: CC1=NC2C(C(C(OC2S1)CO)O)O.

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