1-(6-methylnaphthalen-2-yl)ethanethiol

C13H14S — CID 116866764

IUPAC1-(6-methylnaphthalen-2-yl)ethanethiol
SMILESCc1ccc2cc(C(C)S)ccc2c1
InChIInChI=1S/C13H14S/c1-9-3-4-13-8-11(10(2)14)5-6-12(13)7-9/h3-8,10,14H,1-2H3
InChIKeyJSJXVYGQBQHVCX-UHFFFAOYSA-N
MW202.32 g/mol
LogP4.14
Rot. Bonds1

About 1-(6-methylnaphthalen-2-yl)ethanethiol

1-(6-methylnaphthalen-2-yl)ethanethiol (PubChem CID 116866764) has the molecular formula C13H14S and a molecular weight of 202.32 g/mol. Its IUPAC name is 1-(6-methylnaphthalen-2-yl)ethanethiol.

Molecular Properties

Compound Name1-(6-methylnaphthalen-2-yl)ethanethiol
PubChem CID116866764
Molecular FormulaC13H14S
Molecular Weight202.32 g/mol
Exact Mass202.08
IUPAC Name1-(6-methylnaphthalen-2-yl)ethanethiol
SMILESCc1ccc2cc(C(C)S)ccc2c1
InChIInChI=1S/C13H14S/c1-9-3-4-13-8-11(10(2)14)5-6-12(13)7-9/h3-8,10,14H,1-2H3
InChIKeyJSJXVYGQBQHVCX-UHFFFAOYSA-N
XLogP4.14
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.32
LogP ≤ 54.14
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

1-naphthalen-2-ylethanethiol
CID 11672816
2-butan-2-yl-9-methylpentacene
CID 20764702
2,9-dimethylpentacene
CID 11460950
2-(2,5-dimethylhexan-3-yl)-6-methylnaphthalene;ethane
CID 143860570
1-chloro-N,N-dimethyl-1-(6-methylnaphthalen-2-yl)methanamine
CID 116915298
2-(7-methylnaphthalen-2-yl)propanal
CID 21414815
2,6-dimethylnaphthalene;propane
CID 142191183
1-(6-methylnaphthalen-2-yl)-2-methylsulfanylethanol
CID 116830253
2,3-dichloro-6-methylnaphthalene
CID 21366530
2-[amino-(6-methylnaphthalen-2-yl)methyl]-3-methylbutan-1-ol
CID 116945692
2,6-dimethylnaphthalene;2-methylnaphthalene
CID 158480305
2,6-di(propan-2-yl)naphthalene;ethane
CID 142320223

Frequently Asked Questions

What is the IUPAC name of 1-(6-methylnaphthalen-2-yl)ethanethiol?
The IUPAC name of 1-(6-methylnaphthalen-2-yl)ethanethiol (CID 116866764) is 1-(6-methylnaphthalen-2-yl)ethanethiol.
What is the SMILES notation for 1-(6-methylnaphthalen-2-yl)ethanethiol?
The canonical SMILES for 1-(6-methylnaphthalen-2-yl)ethanethiol is Cc1ccc2cc(C(C)S)ccc2c1.
What is the InChIKey of 1-(6-methylnaphthalen-2-yl)ethanethiol?
The InChIKey is JSJXVYGQBQHVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14S/c1-9-3-4-13-8-11(10(2)14)5-6-12(13)7-9/h3-8,10,14H,1-2H3.
What are the key properties of 1-(6-methylnaphthalen-2-yl)ethanethiol?
1-(6-methylnaphthalen-2-yl)ethanethiol has a molecular weight of 202.32 g/mol, XLogP of 4.14, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methylnaphthalen-2-yl)ethanethiol is sourced from PubChem (CID 116866764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).