2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol

C15H20OS2 — CID 163623475

IUPAC2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol
SMILESOCC(CSC1C=CC=CC1)SC1C=CC=CC1
InChIInChI=1S/C15H20OS2/c16-11-15(18-14-9-5-2-6-10-14)12-17-13-7-3-1-4-8-13/h1-7,9,13-16H,8,10-12H2
InChIKeyHQCRRHKOZLZUCI-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.58
Rot. Bonds6

About 2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol

2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol (PubChem CID 163623475) has the molecular formula C15H20OS2 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol.

Molecular Properties

Compound Name2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol
PubChem CID163623475
Molecular FormulaC15H20OS2
Molecular Weight280.46 g/mol
Exact Mass280.10
IUPAC Name2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol
SMILESOCC(CSC1C=CC=CC1)SC1C=CC=CC1
InChIInChI=1S/C15H20OS2/c16-11-15(18-14-9-5-2-6-10-14)12-17-13-7-3-1-4-8-13/h1-7,9,13-16H,8,10-12H2
InChIKeyHQCRRHKOZLZUCI-UHFFFAOYSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol with MolForge

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Related Compounds

4-Methylsulfanylocta-4,6-dien-1-ol
CID 123770797
2-[2-(2-Hydroxyethylsulfanyl)cyclohexa-1,3-dien-1-yl]sulfanylethanol
CID 123951662
2-[(E)-3-cyclohexa-1,5-dien-1-yl-1-(2-hydroxyethylsulfanyl)prop-2-enyl]sulfanylethanol
CID 143086471
2-[1-(2-Methylcyclohexa-1,5-dien-1-yl)propylsulfanyl]ethanol
CID 148667532
3-[Dimethyl-(4-methylcyclohexa-2,4-dien-1-yl)-lambda4-sulfanyl]propan-1-ol
CID 156433426
2-[Cyclohexa-2,4-dien-1-yl-(2-hydroxyethyl)-methyl-lambda4-sulfanyl]ethanol
CID 164145645
4-Cyclohexa-1,5-dien-1-ylsulfanylbutan-1-ol
CID 173205888
2-(2H-thiopyran-2-yl)ethanol
CID 175775699
3-(2H-thiopyran-2-yl)propan-1-ol
CID 177752391
(4Z)-6-ethylsulfanylhepta-4,6-dien-1-ol
CID 16681244
4-[(5E,7Z)-undeca-5,7-dienyl]sulfanylbutan-1-ol
CID 25223319
3-Cyclohex-2-en-1-ylsulfanylpropan-1-ol
CID 114620525

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol?
The IUPAC name of 2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol (CID 163623475) is 2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol.
What is the SMILES notation for 2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol?
The canonical SMILES for 2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol is OCC(CSC1C=CC=CC1)SC1C=CC=CC1.
What is the InChIKey of 2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol?
The InChIKey is HQCRRHKOZLZUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20OS2/c16-11-15(18-14-9-5-2-6-10-14)12-17-13-7-3-1-4-8-13/h1-7,9,13-16H,8,10-12H2.
What are the key properties of 2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol?
2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol has a molecular weight of 280.46 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(cyclohexa-2,4-dien-1-ylsulfanyl)propan-1-ol is sourced from PubChem (CID 163623475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).