[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol

C15H16OS — CID 116872519

IUPAC[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol
SMILESCc1ccc2cc(C3(CS)COC3)ccc2c1
InChIInChI=1S/C15H16OS/c1-11-2-3-13-7-14(5-4-12(13)6-11)15(10-17)8-16-9-15/h2-7,17H,8-10H2,1H3
InChIKeyWSGPGBGONFCKNB-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.35
Rot. Bonds2

About [3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol

[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol (PubChem CID 116872519) has the molecular formula C15H16OS and a molecular weight of 244.36 g/mol. Its IUPAC name is [3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol.

Molecular Properties

Compound Name[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol
PubChem CID116872519
Molecular FormulaC15H16OS
Molecular Weight244.36 g/mol
Exact Mass244.09
IUPAC Name[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol
SMILESCc1ccc2cc(C3(CS)COC3)ccc2c1
InChIInChI=1S/C15H16OS/c1-11-2-3-13-7-14(5-4-12(13)6-11)15(10-17)8-16-9-15/h2-7,17H,8-10H2,1H3
InChIKeyWSGPGBGONFCKNB-UHFFFAOYSA-N
XLogP3.35
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.35
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

1-[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]propan-2-amine
CID 116869892
[1-(7-methylnaphthalen-2-yl)cyclopropyl]methanamine
CID 105465206
[3-(4-methoxy-3,5-dimethylphenyl)oxetan-3-yl]methanethiol
CID 116872512
N-[(3-naphthalen-2-yloxetan-3-yl)methyl]ethanamine
CID 116870558
3-(2-chloroethyl)-3-naphthalen-2-yloxetane
CID 116871549
[3-(3,4-dihydro-2H-thiochromen-6-yl)oxetan-3-yl]methanethiol
CID 116872505
2,6-dimethylnaphthalene;propane
CID 142191183
[3-(4-tert-butyl-2,6-dimethylphenyl)oxetan-3-yl]methanethiol
CID 116872471
2,9-dimethylpentacene
CID 11460950
[3-(1,2-dimethylindol-5-yl)oxetan-3-yl]methanamine
CID 116996470
2-[3-(3,4-dimethylphenyl)oxetan-3-yl]-N-methylethanamine
CID 116869633
3-(chloromethyl)-3-(2-fluoro-5-methylphenyl)oxetane
CID 156576161

Frequently Asked Questions

What is the IUPAC name of [3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol?
The IUPAC name of [3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol (CID 116872519) is [3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol.
What is the SMILES notation for [3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol?
The canonical SMILES for [3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol is Cc1ccc2cc(C3(CS)COC3)ccc2c1.
What is the InChIKey of [3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol?
The InChIKey is WSGPGBGONFCKNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16OS/c1-11-2-3-13-7-14(5-4-12(13)6-11)15(10-17)8-16-9-15/h2-7,17H,8-10H2,1H3.
What are the key properties of [3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol?
[3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol has a molecular weight of 244.36 g/mol, XLogP of 3.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-methylnaphthalen-2-yl)oxetan-3-yl]methanethiol is sourced from PubChem (CID 116872519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).