1,6-dichloro-4-sulfanylnaphthalen-2-ol

C10H6Cl2OS — CID 54067845

IUPAC1,6-dichloro-4-sulfanylnaphthalen-2-ol
SMILESOc1cc(S)c2cc(Cl)ccc2c1Cl
InChIInChI=1S/C10H6Cl2OS/c11-5-1-2-6-7(3-5)9(14)4-8(13)10(6)12/h1-4,13-14H
InChIKeyMEHOULQVONZCIR-UHFFFAOYSA-N
MW245.13 g/mol
LogP4.14
Rot. Bonds

About 1,6-dichloro-4-sulfanylnaphthalen-2-ol

1,6-dichloro-4-sulfanylnaphthalen-2-ol (PubChem CID 54067845) has the molecular formula C10H6Cl2OS and a molecular weight of 245.13 g/mol. Its IUPAC name is 1,6-dichloro-4-sulfanylnaphthalen-2-ol.

Molecular Properties

Compound Name1,6-dichloro-4-sulfanylnaphthalen-2-ol
PubChem CID54067845
Molecular FormulaC10H6Cl2OS
Molecular Weight245.13 g/mol
Exact Mass243.95
IUPAC Name1,6-dichloro-4-sulfanylnaphthalen-2-ol
SMILESOc1cc(S)c2cc(Cl)ccc2c1Cl
InChIInChI=1S/C10H6Cl2OS/c11-5-1-2-6-7(3-5)9(14)4-8(13)10(6)12/h1-4,13-14H
InChIKeyMEHOULQVONZCIR-UHFFFAOYSA-N
XLogP4.14
TPSA20.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.13
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 1,6-dichloro-4-sulfanylnaphthalen-2-ol?
The IUPAC name of 1,6-dichloro-4-sulfanylnaphthalen-2-ol (CID 54067845) is 1,6-dichloro-4-sulfanylnaphthalen-2-ol.
What is the SMILES notation for 1,6-dichloro-4-sulfanylnaphthalen-2-ol?
The canonical SMILES for 1,6-dichloro-4-sulfanylnaphthalen-2-ol is Oc1cc(S)c2cc(Cl)ccc2c1Cl.
What is the InChIKey of 1,6-dichloro-4-sulfanylnaphthalen-2-ol?
The InChIKey is MEHOULQVONZCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2OS/c11-5-1-2-6-7(3-5)9(14)4-8(13)10(6)12/h1-4,13-14H.
What are the key properties of 1,6-dichloro-4-sulfanylnaphthalen-2-ol?
1,6-dichloro-4-sulfanylnaphthalen-2-ol has a molecular weight of 245.13 g/mol, XLogP of 4.14, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dichloro-4-sulfanylnaphthalen-2-ol is sourced from PubChem (CID 54067845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).