2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol

C9H14OS — CID 142084785

IUPAC2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol
SMILESCC1CC=CC=C1SCCO
InChIInChI=1S/C9H14OS/c1-8-4-2-3-5-9(8)11-7-6-10/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyUYYVTXLBAUBABU-UHFFFAOYSA-N
MW170.28 g/mol
LogP2.19
Rot. Bonds3

About 2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol

2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol (PubChem CID 142084785) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol.

Molecular Properties

Compound Name2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol
PubChem CID142084785
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol
SMILESCC1CC=CC=C1SCCO
InChIInChI=1S/C9H14OS/c1-8-4-2-3-5-9(8)11-7-6-10/h2-3,5,8,10H,4,6-7H2,1H3
InChIKeyUYYVTXLBAUBABU-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol
CID 134886835
azanylidyneoxidanium;carbon monoxide;manganese;2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol
CID 134898160
(1-Methylsulfanylcyclohexa-2,4-dien-1-yl)methanol
CID 69980558
2-(1-Hydroxyethylsulfanyl)-3-(2-sulfanylethyl)cyclohexa-2,4-diene-1-thione
CID 87903780
[(2R)-2-[(1Z)-buta-1,3-dienyl]-3-methyl-2,3-dihydrothiophen-5-yl]methanol
CID 89416457
2-[(4R)-4-methylcyclohexa-1,5-dien-1-yl]sulfanylethane-1,1-diol
CID 118319623
2-(5-methyl-2-propan-2-yl-2H-thiophen-5-yl)ethanol
CID 118437128
4-(8-Methylnona-1,3,5-trien-4-ylsulfanyl)butan-1-ol
CID 123311410
4-Ethenyl-10-hepta-2,4-dien-4-ylsulfanyldodeca-2,6,8-trien-1-ol
CID 123333858
2-[2-(2-Hydroxyethylsulfanyl)cyclohexa-1,3-dien-1-yl]sulfanylethanol
CID 123951662
2-Cyclohexa-2,4-dien-1-ylethylsulfanylmethanol
CID 140617338
1-(Cyclohexa-2,4-dien-1-ylmethylsulfanyl)butan-2-ol
CID 142016588

Frequently Asked Questions

What is the IUPAC name of 2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol?
The IUPAC name of 2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol (CID 142084785) is 2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol.
What is the SMILES notation for 2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol?
The canonical SMILES for 2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol is CC1CC=CC=C1SCCO.
What is the InChIKey of 2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol?
The InChIKey is UYYVTXLBAUBABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14OS/c1-8-4-2-3-5-9(8)11-7-6-10/h2-3,5,8,10H,4,6-7H2,1H3.
What are the key properties of 2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol?
2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol has a molecular weight of 170.28 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methylcyclohexa-1,3-dien-1-yl)sulfanylethanol is sourced from PubChem (CID 142084785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).