3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol

C20H14O2S2 — CID 150882613

IUPAC3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol
SMILESOc1cc2cc(S)ccc2cc1-c1cc2ccc(S)cc2cc1O
InChIInChI=1S/C20H14O2S2/c21-19-9-13-5-15(23)3-1-11(13)7-17(19)18-8-12-2-4-16(24)6-14(12)10-20(18)22/h1-10,21-24H
InChIKeyKWIKTUIFSZMSLY-UHFFFAOYSA-N
MW350.46 g/mol
LogP5.65
Rot. Bonds1

About 3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol

3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol (PubChem CID 150882613) has the molecular formula C20H14O2S2 and a molecular weight of 350.46 g/mol. Its IUPAC name is 3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol.

Molecular Properties

Compound Name3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol
PubChem CID150882613
Molecular FormulaC20H14O2S2
Molecular Weight350.46 g/mol
Exact Mass350.04
IUPAC Name3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol
SMILESOc1cc2cc(S)ccc2cc1-c1cc2ccc(S)cc2cc1O
InChIInChI=1S/C20H14O2S2/c21-19-9-13-5-15(23)3-1-11(13)7-17(19)18-8-12-2-4-16(24)6-14(12)10-20(18)22/h1-10,21-24H
InChIKeyKWIKTUIFSZMSLY-UHFFFAOYSA-N
XLogP5.65
TPSA40.46 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.46
LogP ≤ 55.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol?
The IUPAC name of 3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol (CID 150882613) is 3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol.
What is the SMILES notation for 3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol?
The canonical SMILES for 3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol is Oc1cc2cc(S)ccc2cc1-c1cc2ccc(S)cc2cc1O.
What is the InChIKey of 3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol?
The InChIKey is KWIKTUIFSZMSLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14O2S2/c21-19-9-13-5-15(23)3-1-11(13)7-17(19)18-8-12-2-4-16(24)6-14(12)10-20(18)22/h1-10,21-24H.
What are the key properties of 3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol?
3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol has a molecular weight of 350.46 g/mol, XLogP of 5.65, 1 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-hydroxy-6-sulfanylnaphthalen-2-yl)-7-sulfanylnaphthalen-2-ol is sourced from PubChem (CID 150882613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).