6,7-dimethylnaphthalene-2-thiol;ethane

C14H18S — CID 143677579

IUPAC6,7-dimethylnaphthalene-2-thiol;ethane
SMILESCC.Cc1cc2ccc(S)cc2cc1C
InChIInChI=1S/C12H12S.C2H6/c1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-2/h3-7,13H,1-2H3;1-2H3
InChIKeyVHLGEFFIFRVNSE-UHFFFAOYSA-N
MW218.36 g/mol
LogP4.77
Rot. Bonds

About 6,7-dimethylnaphthalene-2-thiol;ethane

6,7-dimethylnaphthalene-2-thiol;ethane (PubChem CID 143677579) has the molecular formula C14H18S and a molecular weight of 218.36 g/mol. Its IUPAC name is 6,7-dimethylnaphthalene-2-thiol;ethane.

Molecular Properties

Compound Name6,7-dimethylnaphthalene-2-thiol;ethane
PubChem CID143677579
Molecular FormulaC14H18S
Molecular Weight218.36 g/mol
Exact Mass218.11
IUPAC Name6,7-dimethylnaphthalene-2-thiol;ethane
SMILESCC.Cc1cc2ccc(S)cc2cc1C
InChIInChI=1S/C12H12S.C2H6/c1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-2/h3-7,13H,1-2H3;1-2H3
InChIKeyVHLGEFFIFRVNSE-UHFFFAOYSA-N
XLogP4.77
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.36
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 6,7-dimethylnaphthalene-2-thiol;ethane?
The IUPAC name of 6,7-dimethylnaphthalene-2-thiol;ethane (CID 143677579) is 6,7-dimethylnaphthalene-2-thiol;ethane.
What is the SMILES notation for 6,7-dimethylnaphthalene-2-thiol;ethane?
The canonical SMILES for 6,7-dimethylnaphthalene-2-thiol;ethane is CC.Cc1cc2ccc(S)cc2cc1C.
What is the InChIKey of 6,7-dimethylnaphthalene-2-thiol;ethane?
The InChIKey is VHLGEFFIFRVNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S.C2H6/c1-8-5-10-3-4-12(13)7-11(10)6-9(8)2;1-2/h3-7,13H,1-2H3;1-2H3.
What are the key properties of 6,7-dimethylnaphthalene-2-thiol;ethane?
6,7-dimethylnaphthalene-2-thiol;ethane has a molecular weight of 218.36 g/mol, XLogP of 4.77, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethylnaphthalene-2-thiol;ethane is sourced from PubChem (CID 143677579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).