6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol

C12H9F3OS — CID 15670610

IUPAC6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol
SMILESCOc1ccc2cc(S)ccc2c1C(F)(F)F
InChIInChI=1S/C12H9F3OS/c1-16-10-5-2-7-6-8(17)3-4-9(7)11(10)12(13,14)15/h2-6,17H,1H3
InChIKeyVNQYLTXWOVYJMG-UHFFFAOYSA-N
MW258.26 g/mol
LogP4.16
Rot. Bonds1

About 6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol

6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol (PubChem CID 15670610) has the molecular formula C12H9F3OS and a molecular weight of 258.26 g/mol. Its IUPAC name is 6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol.

Molecular Properties

Compound Name6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol
PubChem CID15670610
Molecular FormulaC12H9F3OS
Molecular Weight258.26 g/mol
Exact Mass258.03
IUPAC Name6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol
SMILESCOc1ccc2cc(S)ccc2c1C(F)(F)F
InChIInChI=1S/C12H9F3OS/c1-16-10-5-2-7-6-8(17)3-4-9(7)11(10)12(13,14)15/h2-6,17H,1H3
InChIKeyVNQYLTXWOVYJMG-UHFFFAOYSA-N
XLogP4.16
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methoxynaphthalene-1,6-dithiol
CID 23290288
1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 137442942
2-methoxybenzene-1,4-dithiol
CID 91874397
sodium;3,4-dimethoxybenzenethiol;hydride
CID 175319936
4-methoxy-2,3-bis(trifluoromethyl)phenol
CID 22595244
1,3,5-trimethoxybenzene;1,3,5-trimethoxy-2,4-bis(trifluoromethyl)benzene
CID 158466163
2-[4-(1,1-difluoroethyl)cyclohexyl]oxy-6-propyl-1-(trifluoromethyl)naphthalene
CID 68607969
6-methoxy-1-methyl-2-nitro-5-(trifluoromethyl)naphthalene
CID 15614968
N-formylbenzamide;2-methoxy-1-(trifluoromethyl)naphthalene
CID 88607417
3-methoxy-6-methyl-2-(trifluoromethyl)aniline
CID 131481982
methyl 6-[(3R,5R)-3,5-dimethylcyclohexyl]oxy-5-(trifluoromethyl)naphthalene-2-carboxylate
CID 118235961
1-methoxy-2,3,5-trimethyl-4-(trifluoromethyl)benzene
CID 116964846

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol?
The IUPAC name of 6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol (CID 15670610) is 6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol.
What is the SMILES notation for 6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol?
The canonical SMILES for 6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol is COc1ccc2cc(S)ccc2c1C(F)(F)F.
What is the InChIKey of 6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol?
The InChIKey is VNQYLTXWOVYJMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3OS/c1-16-10-5-2-7-6-8(17)3-4-9(7)11(10)12(13,14)15/h2-6,17H,1H3.
What are the key properties of 6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol?
6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol has a molecular weight of 258.26 g/mol, XLogP of 4.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-5-(trifluoromethyl)naphthalene-2-thiol is sourced from PubChem (CID 15670610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).