Compound C21H11NO5S

3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one

CAS: 3326-32-7

Molecular Formula	`C21H11NO5S`
Molecular Weight	389.4 g/mol
LogP	4.8
Topological Polar Surface Area	120.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	1
Exact Mass	389.0358
Heavy Atoms	28
Complexity	668.0

Chemical Identifiers

CAS Number	3326-32-7
SMILES	`C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O`
InChIKey	`MHMNJMPURVTYEJ-UHFFFAOYSA-N`

📖 Product Overview

Compound C21H11NO5S (CAS: 3326-32-7) is a chemical compound with molecular formula C21H11NO5S and molecular weight 389.4 g/mol. Its IUPAC systematic name is 3',6'-dihydroxy-6-isothiocyanatospiro[2-benzofuran-3,9'-xanthene]-1-one. LogP 4.8 Topological Polar Surface Area 120.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 1 Exact Mass 389.0358 Heavy Atoms 28 Complexity 668.0 InChI Key: MHMNJMPURVTYEJ-UHFFFAOYSA-N. SMILES: C1=CC2=C(C=C1N=C=S)C(=O)OC23C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O.

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