6-ethylnaphthalene-2-thiol

C12H12S — CID 139481477

IUPAC6-ethylnaphthalene-2-thiol
SMILESCCc1ccc2cc(S)ccc2c1
InChIInChI=1S/C12H12S/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h3-8,13H,2H2,1H3
InChIKeyICPXESOCEPRCBA-UHFFFAOYSA-N
MW188.29 g/mol
LogP3.69
Rot. Bonds1

About 6-ethylnaphthalene-2-thiol

6-ethylnaphthalene-2-thiol (PubChem CID 139481477) has the molecular formula C12H12S and a molecular weight of 188.29 g/mol. Its IUPAC name is 6-ethylnaphthalene-2-thiol.

Molecular Properties

Compound Name6-ethylnaphthalene-2-thiol
PubChem CID139481477
Molecular FormulaC12H12S
Molecular Weight188.29 g/mol
Exact Mass188.07
IUPAC Name6-ethylnaphthalene-2-thiol
SMILESCCc1ccc2cc(S)ccc2c1
InChIInChI=1S/C12H12S/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h3-8,13H,2H2,1H3
InChIKeyICPXESOCEPRCBA-UHFFFAOYSA-N
XLogP3.69
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.29
LogP ≤ 53.69
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

ethane;2-ethylnaphthalene
CID 90684887
2-ethyl-6-fluoronaphthalene
CID 58787061
2,6-bis(6-ethylnaphthalen-2-yl)anthracene
CID 59141275
4-ethylbenzenethiol;trihydrofluoride
CID 173110681
(6-ethylnaphthalen-2-yl)methyl-trimethylsilane
CID 134960161
[4-(6-ethylnaphthalen-2-yl)phenyl]methylphosphane
CID 163973650
2-ethylnaphthalene;N-methylmethanamine;hydrochloride
CID 70022653
naphthalene-2-thiol;propan-1-amine
CID 162435108
1-(6-ethylnaphthalen-2-yl)ethanone
CID 23046884
2-ethyl-6-methylsulfonylnaphthalene
CID 67478428
6,7-dimethylnaphthalene-2-thiol;ethane
CID 143677579
3-(6-ethylnaphthalen-2-yl)propanoic acid
CID 144687708

Frequently Asked Questions

What is the IUPAC name of 6-ethylnaphthalene-2-thiol?
The IUPAC name of 6-ethylnaphthalene-2-thiol (CID 139481477) is 6-ethylnaphthalene-2-thiol.
What is the SMILES notation for 6-ethylnaphthalene-2-thiol?
The canonical SMILES for 6-ethylnaphthalene-2-thiol is CCc1ccc2cc(S)ccc2c1.
What is the InChIKey of 6-ethylnaphthalene-2-thiol?
The InChIKey is ICPXESOCEPRCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12S/c1-2-9-3-4-11-8-12(13)6-5-10(11)7-9/h3-8,13H,2H2,1H3.
What are the key properties of 6-ethylnaphthalene-2-thiol?
6-ethylnaphthalene-2-thiol has a molecular weight of 188.29 g/mol, XLogP of 3.69, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylnaphthalene-2-thiol is sourced from PubChem (CID 139481477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).