naphtho[1,2-b][1]benzothiol-1-ol

C16H10OS — CID 14709450

IUPACnaphtho[1,2-b][1]benzothiol-1-ol
SMILESOc1cccc2ccc3c4ccccc4sc3c12
InChIInChI=1S/C16H10OS/c17-13-6-3-4-10-8-9-12-11-5-1-2-7-14(11)18-16(12)15(10)13/h1-9,17H
InChIKeyNCLAWIMARYWNIU-UHFFFAOYSA-N
MW250.32 g/mol
LogP4.91
Rot. Bonds

About naphtho[1,2-b][1]benzothiol-1-ol

naphtho[1,2-b][1]benzothiol-1-ol (PubChem CID 14709450) has the molecular formula C16H10OS and a molecular weight of 250.32 g/mol. Its IUPAC name is naphtho[1,2-b][1]benzothiol-1-ol.

Molecular Properties

Compound Namenaphtho[1,2-b][1]benzothiol-1-ol
PubChem CID14709450
Molecular FormulaC16H10OS
Molecular Weight250.32 g/mol
Exact Mass250.05
IUPAC Namenaphtho[1,2-b][1]benzothiol-1-ol
SMILESOc1cccc2ccc3c4ccccc4sc3c12
InChIInChI=1S/C16H10OS/c17-13-6-3-4-10-8-9-12-11-5-1-2-7-14(11)18-16(12)15(10)13/h1-9,17H
InChIKeyNCLAWIMARYWNIU-UHFFFAOYSA-N
XLogP4.91
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphtho[1,2-b][1]benzothiol-1-ol?
The IUPAC name of naphtho[1,2-b][1]benzothiol-1-ol (CID 14709450) is naphtho[1,2-b][1]benzothiol-1-ol.
What is the SMILES notation for naphtho[1,2-b][1]benzothiol-1-ol?
The canonical SMILES for naphtho[1,2-b][1]benzothiol-1-ol is Oc1cccc2ccc3c4ccccc4sc3c12.
What is the InChIKey of naphtho[1,2-b][1]benzothiol-1-ol?
The InChIKey is NCLAWIMARYWNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10OS/c17-13-6-3-4-10-8-9-12-11-5-1-2-7-14(11)18-16(12)15(10)13/h1-9,17H.
What are the key properties of naphtho[1,2-b][1]benzothiol-1-ol?
naphtho[1,2-b][1]benzothiol-1-ol has a molecular weight of 250.32 g/mol, XLogP of 4.91, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphtho[1,2-b][1]benzothiol-1-ol is sourced from PubChem (CID 14709450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).