2-(methoxymethylsulfanyl)naphthalene

C12H12OS — CID 54008940

IUPAC2-(methoxymethylsulfanyl)naphthalene
SMILESCOCSc1ccc2ccccc2c1
InChIInChI=1S/C12H12OS/c1-13-9-14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3
InChIKeyKQXOBRVHQRUUMK-UHFFFAOYSA-N
MW204.29 g/mol
LogP3.54
Rot. Bonds3

About 2-(methoxymethylsulfanyl)naphthalene

2-(methoxymethylsulfanyl)naphthalene (PubChem CID 54008940) has the molecular formula C12H12OS and a molecular weight of 204.29 g/mol. Its IUPAC name is 2-(methoxymethylsulfanyl)naphthalene.

Molecular Properties

Compound Name2-(methoxymethylsulfanyl)naphthalene
PubChem CID54008940
Molecular FormulaC12H12OS
Molecular Weight204.29 g/mol
Exact Mass204.06
IUPAC Name2-(methoxymethylsulfanyl)naphthalene
SMILESCOCSc1ccc2ccccc2c1
InChIInChI=1S/C12H12OS/c1-13-9-14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3
InChIKeyKQXOBRVHQRUUMK-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.29
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

[4-(methoxymethylsulfanyl)phenyl]methanol
CID 21036167
2-(2-bromoethylsulfanyl)naphthalene
CID 43519120
4-(methoxymethylsulfanyl)-N,N-dimethylaniline
CID 3329561
ethyl (E)-4-naphthalen-2-ylsulfanylbut-2-enoate
CID 80546290
1-(2-methoxyethoxy)-3-naphthalen-2-ylsulfanylpropan-2-ol
CID 106992405
1,3-bis(naphthalen-2-ylsulfanyl)propan-2-ol
CID 70684265
(2R,3R)-1,4-bis(naphthalen-2-ylsulfanyl)butane-2,3-diol
CID 101186685
2-(2-methoxy-1-naphthalen-2-ylethyl)naphthalene
CID 3646227
methyl 6-naphthalen-2-ylsulfanylhexanoate
CID 135366329
1-naphthalen-2-ylsulfanyl-N-propylpropan-2-amine
CID 64648859
formic acid;2-propylsulfanylnaphthalene
CID 143073136
1-naphthalen-2-ylsulfanylpentan-3-amine
CID 153445073

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethylsulfanyl)naphthalene?
The IUPAC name of 2-(methoxymethylsulfanyl)naphthalene (CID 54008940) is 2-(methoxymethylsulfanyl)naphthalene.
What is the SMILES notation for 2-(methoxymethylsulfanyl)naphthalene?
The canonical SMILES for 2-(methoxymethylsulfanyl)naphthalene is COCSc1ccc2ccccc2c1.
What is the InChIKey of 2-(methoxymethylsulfanyl)naphthalene?
The InChIKey is KQXOBRVHQRUUMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12OS/c1-13-9-14-12-7-6-10-4-2-3-5-11(10)8-12/h2-8H,9H2,1H3.
What are the key properties of 2-(methoxymethylsulfanyl)naphthalene?
2-(methoxymethylsulfanyl)naphthalene has a molecular weight of 204.29 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethylsulfanyl)naphthalene is sourced from PubChem (CID 54008940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).