3-phenylnaphthalene-2-thiol

C16H12S — CID 91804304

IUPAC3-phenylnaphthalene-2-thiol
SMILESSc1cc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C16H12S/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-11,17H
InChIKeyONKJFECYTKQRRD-UHFFFAOYSA-N
MW236.34 g/mol
LogP4.80
Rot. Bonds1

About 3-phenylnaphthalene-2-thiol

3-phenylnaphthalene-2-thiol (PubChem CID 91804304) has the molecular formula C16H12S and a molecular weight of 236.34 g/mol. Its IUPAC name is 3-phenylnaphthalene-2-thiol.

Molecular Properties

Compound Name3-phenylnaphthalene-2-thiol
PubChem CID91804304
Molecular FormulaC16H12S
Molecular Weight236.34 g/mol
Exact Mass236.07
IUPAC Name3-phenylnaphthalene-2-thiol
SMILESSc1cc2ccccc2cc1-c1ccccc1
InChIInChI=1S/C16H12S/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-11,17H
InChIKeyONKJFECYTKQRRD-UHFFFAOYSA-N
XLogP4.80
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-sulfanylnaphthalen-2-yl)benzoic acid
CID 69007314
5-methyl-2-phenylbenzenethiol
CID 15805257
3-(5-chloro-2-fluorophenyl)naphthalene-2-thiol
CID 164521009
2-(2-chlorophenyl)-3-(2-phenylphenyl)naphthalene
CID 171525540
2-(1,3-diphenylanthracen-2-yl)-1,3-diphenylanthracene
CID 173204164
3-methylnaphthalene-2-thiol
CID 23290280
2-phenyl-4-(trifluoromethoxy)benzenethiol
CID 90189291
2-(3-chloronaphthalen-2-yl)-4,6-diphenyl-1,3,5-triazine
CID 155151397
2-(3-phenylnaphthalen-2-yl)propan-2-ol
CID 59806754
4-benzyl-2-phenylbenzenethiol
CID 139607533
2-naphthalen-1-yl-3-phenylanthracene
CID 123533450
hydron;1-phenylanthracene
CID 174351162

Frequently Asked Questions

What is the IUPAC name of 3-phenylnaphthalene-2-thiol?
The IUPAC name of 3-phenylnaphthalene-2-thiol (CID 91804304) is 3-phenylnaphthalene-2-thiol.
What is the SMILES notation for 3-phenylnaphthalene-2-thiol?
The canonical SMILES for 3-phenylnaphthalene-2-thiol is Sc1cc2ccccc2cc1-c1ccccc1.
What is the InChIKey of 3-phenylnaphthalene-2-thiol?
The InChIKey is ONKJFECYTKQRRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12S/c17-16-11-14-9-5-4-8-13(14)10-15(16)12-6-2-1-3-7-12/h1-11,17H.
What are the key properties of 3-phenylnaphthalene-2-thiol?
3-phenylnaphthalene-2-thiol has a molecular weight of 236.34 g/mol, XLogP of 4.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylnaphthalene-2-thiol is sourced from PubChem (CID 91804304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).