ethane;(4-methyl-3-methylsulfanylphenyl)methanol

C11H18OS — CID 143859740

IUPACethane;(4-methyl-3-methylsulfanylphenyl)methanol
SMILESCC.CSc1cc(CO)ccc1C
InChIInChI=1S/C9H12OS.C2H6/c1-7-3-4-8(6-10)5-9(7)11-2;1-2/h3-5,10H,6H2,1-2H3;1-2H3
InChIKeyPZWINMCHURRWFM-UHFFFAOYSA-N
MW198.33 g/mol
LogP3.24
Rot. Bonds2

About ethane;(4-methyl-3-methylsulfanylphenyl)methanol

ethane;(4-methyl-3-methylsulfanylphenyl)methanol (PubChem CID 143859740) has the molecular formula C11H18OS and a molecular weight of 198.33 g/mol. Its IUPAC name is ethane;(4-methyl-3-methylsulfanylphenyl)methanol.

Molecular Properties

Compound Nameethane;(4-methyl-3-methylsulfanylphenyl)methanol
PubChem CID143859740
Molecular FormulaC11H18OS
Molecular Weight198.33 g/mol
Exact Mass198.11
IUPAC Nameethane;(4-methyl-3-methylsulfanylphenyl)methanol
SMILESCC.CSc1cc(CO)ccc1C
InChIInChI=1S/C9H12OS.C2H6/c1-7-3-4-8(6-10)5-9(7)11-2;1-2/h3-5,10H,6H2,1-2H3;1-2H3
InChIKeyPZWINMCHURRWFM-UHFFFAOYSA-N
XLogP3.24
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methyl-3-methylsulfanylphenyl)propan-1-amine
CID 117285805
(4-methyl-3-propan-2-ylphenyl)methanol
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4-(4-methyl-3-methylsulfanylphenyl)butanoic acid
CID 117322469
2-(4-methyl-3-methylsulfanylphenyl)propan-1-ol
CID 117286493
4-chloro-1-methyl-2-methylsulfanylbenzene;ethane
CID 177366808
[3-methyl-4-(2-methylphenyl)sulfanylphenyl]methanol
CID 63835401
2-bromo-1-(4-methyl-3-methylsulfanylphenyl)ethanone
CID 12850094
[4-(2,4-dimethylphenyl)sulfanyl-3-methylphenyl]methanol
CID 63813831
[6-(2,5-dimethylphenyl)sulfanyl-3-pyridinyl]methanol
CID 80651359
[4-(4-fluorophenyl)sulfanyl-3-methylphenyl]methanol
CID 63813527
[3-[(1S)-1-aminopropyl]-4-methylphenyl]methanol
CID 130674225
[4-(2,4-dimethylphenyl)sulfanyl-3-fluorophenyl]methanol
CID 63813829

Frequently Asked Questions

What is the IUPAC name of ethane;(4-methyl-3-methylsulfanylphenyl)methanol?
The IUPAC name of ethane;(4-methyl-3-methylsulfanylphenyl)methanol (CID 143859740) is ethane;(4-methyl-3-methylsulfanylphenyl)methanol.
What is the SMILES notation for ethane;(4-methyl-3-methylsulfanylphenyl)methanol?
The canonical SMILES for ethane;(4-methyl-3-methylsulfanylphenyl)methanol is CC.CSc1cc(CO)ccc1C.
What is the InChIKey of ethane;(4-methyl-3-methylsulfanylphenyl)methanol?
The InChIKey is PZWINMCHURRWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12OS.C2H6/c1-7-3-4-8(6-10)5-9(7)11-2;1-2/h3-5,10H,6H2,1-2H3;1-2H3.
What are the key properties of ethane;(4-methyl-3-methylsulfanylphenyl)methanol?
ethane;(4-methyl-3-methylsulfanylphenyl)methanol has a molecular weight of 198.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methyl-3-methylsulfanylphenyl)methanol is sourced from PubChem (CID 143859740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).