2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol

C9H14OS — CID 134886835

IUPAC2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol
SMILESC[C@@H]1C=CC=C[C@@H]1SCCO
InChIInChI=1S/C9H14OS/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5,8-10H,6-7H2,1H3/t8-,9+/m1/s1
InChIKeyDYHQSRQWDFELSW-BDAKNGLRSA-N
MW170.28 g/mol
LogP1.84
Rot. Bonds3

About 2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol

2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol (PubChem CID 134886835) has the molecular formula C9H14OS and a molecular weight of 170.28 g/mol. Its IUPAC name is 2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol.

Molecular Properties

Compound Name2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol
PubChem CID134886835
Molecular FormulaC9H14OS
Molecular Weight170.28 g/mol
Exact Mass170.08
IUPAC Name2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol
SMILESC[C@@H]1C=CC=C[C@@H]1SCCO
InChIInChI=1S/C9H14OS/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5,8-10H,6-7H2,1H3/t8-,9+/m1/s1
InChIKeyDYHQSRQWDFELSW-BDAKNGLRSA-N
XLogP1.84
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 ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol with MolForge

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Related Compounds

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
2-(6-Methylcyclohexa-1,3-dien-1-yl)sulfanylethanol
CID 142084785

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol?
The IUPAC name of 2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol (CID 134886835) is 2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol.
What is the SMILES notation for 2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol?
The canonical SMILES for 2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol is C[C@@H]1C=CC=C[C@@H]1SCCO.
What is the InChIKey of 2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol?
The InChIKey is DYHQSRQWDFELSW-BDAKNGLRSA-N. The full InChI is InChI=1S/C9H14OS/c1-8-4-2-3-5-9(8)11-7-6-10/h2-5,8-10H,6-7H2,1H3/t8-,9+/m1/s1.
What are the key properties of 2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol?
2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol has a molecular weight of 170.28 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,6R)-6-methylcyclohexa-2,4-dien-1-yl]sulfanylethanol is sourced from PubChem (CID 134886835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).