5-methylsulfanylnaphthalen-1-ol

C11H10OS — CID 130033866

IUPAC5-methylsulfanylnaphthalen-1-ol
SMILESCSc1cccc2c(O)cccc12
InChIInChI=1S/C11H10OS/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7,12H,1H3
InChIKeyVRQDFCOKUIKMEI-UHFFFAOYSA-N
MW190.27 g/mol
LogP3.27
Rot. Bonds1

About 5-methylsulfanylnaphthalen-1-ol

5-methylsulfanylnaphthalen-1-ol (PubChem CID 130033866) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is 5-methylsulfanylnaphthalen-1-ol.

Molecular Properties

Compound Name5-methylsulfanylnaphthalen-1-ol
PubChem CID130033866
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name5-methylsulfanylnaphthalen-1-ol
SMILESCSc1cccc2c(O)cccc12
InChIInChI=1S/C11H10OS/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7,12H,1H3
InChIKeyVRQDFCOKUIKMEI-UHFFFAOYSA-N
XLogP3.27
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-3-methylsulfanylphenol
CID 23540046
1,11-bis(methylsulfanyl)pentacene-5,7-diol
CID 91194135
cobalt;bis(2-methylsulfanylphenol);dihydrate
CID 70522952
2-methylpropane;naphthalene-1,4-diol
CID 144756444
ethane;naphthalene-1,5-diol;propane
CID 161367010
ethene;1-methyl-5-methylsulfanylnaphthalene;propane
CID 165122097
5-methylsulfanylnaphthalen-2-ol
CID 130033798
2-methylsulfanylphenol;naphthalene
CID 174459188
formaldehyde;naphthalene-1,5-diol
CID 21419428
1-(2-hydroxy-6-methylsulfanylphenyl)ethanone
CID 117279279
4-methylsulfanylbenzo[a]anthracene
CID 134198751
1-chloro-1-(2-hydroxy-6-methylsulfanylphenyl)propan-2-one
CID 130777829

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylnaphthalen-1-ol?
The IUPAC name of 5-methylsulfanylnaphthalen-1-ol (CID 130033866) is 5-methylsulfanylnaphthalen-1-ol.
What is the SMILES notation for 5-methylsulfanylnaphthalen-1-ol?
The canonical SMILES for 5-methylsulfanylnaphthalen-1-ol is CSc1cccc2c(O)cccc12.
What is the InChIKey of 5-methylsulfanylnaphthalen-1-ol?
The InChIKey is VRQDFCOKUIKMEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10OS/c1-13-11-7-3-4-8-9(11)5-2-6-10(8)12/h2-7,12H,1H3.
What are the key properties of 5-methylsulfanylnaphthalen-1-ol?
5-methylsulfanylnaphthalen-1-ol has a molecular weight of 190.27 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylnaphthalen-1-ol is sourced from PubChem (CID 130033866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).