2,6-dichloro-4-(thiolan-3-ylamino)phenol

C10H11Cl2NOS — CID 107678926

IUPAC2,6-dichloro-4-(thiolan-3-ylamino)phenol
SMILESOc1c(Cl)cc(NC2CCSC2)cc1Cl
InChIInChI=1S/C10H11Cl2NOS/c11-8-3-7(4-9(12)10(8)14)13-6-1-2-15-5-6/h3-4,6,13-14H,1-2,5H2
InChIKeyJLOBUGRKWBCECL-UHFFFAOYSA-N
MW264.18 g/mol
LogP3.62
Rot. Bonds2

About 2,6-dichloro-4-(thiolan-3-ylamino)phenol

2,6-dichloro-4-(thiolan-3-ylamino)phenol (PubChem CID 107678926) has the molecular formula C10H11Cl2NOS and a molecular weight of 264.18 g/mol. Its IUPAC name is 2,6-dichloro-4-(thiolan-3-ylamino)phenol.

Molecular Properties

Compound Name2,6-dichloro-4-(thiolan-3-ylamino)phenol
PubChem CID107678926
Molecular FormulaC10H11Cl2NOS
Molecular Weight264.18 g/mol
Exact Mass262.99
IUPAC Name2,6-dichloro-4-(thiolan-3-ylamino)phenol
SMILESOc1c(Cl)cc(NC2CCSC2)cc1Cl
InChIInChI=1S/C10H11Cl2NOS/c11-8-3-7(4-9(12)10(8)14)13-6-1-2-15-5-6/h3-4,6,13-14H,1-2,5H2
InChIKeyJLOBUGRKWBCECL-UHFFFAOYSA-N
XLogP3.62
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.18
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-(thiolan-3-ylamino)phenol?
The IUPAC name of 2,6-dichloro-4-(thiolan-3-ylamino)phenol (CID 107678926) is 2,6-dichloro-4-(thiolan-3-ylamino)phenol.
What is the SMILES notation for 2,6-dichloro-4-(thiolan-3-ylamino)phenol?
The canonical SMILES for 2,6-dichloro-4-(thiolan-3-ylamino)phenol is Oc1c(Cl)cc(NC2CCSC2)cc1Cl.
What is the InChIKey of 2,6-dichloro-4-(thiolan-3-ylamino)phenol?
The InChIKey is JLOBUGRKWBCECL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2NOS/c11-8-3-7(4-9(12)10(8)14)13-6-1-2-15-5-6/h3-4,6,13-14H,1-2,5H2.
What are the key properties of 2,6-dichloro-4-(thiolan-3-ylamino)phenol?
2,6-dichloro-4-(thiolan-3-ylamino)phenol has a molecular weight of 264.18 g/mol, XLogP of 3.62, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-(thiolan-3-ylamino)phenol is sourced from PubChem (CID 107678926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).