4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol

C10H16O2S — CID 116504764

IUPAC4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol
SMILESCCSCCC(O)Cc1ccco1
InChIInChI=1S/C10H16O2S/c1-2-13-7-5-9(11)8-10-4-3-6-12-10/h3-4,6,9,11H,2,5,7-8H2,1H3
InChIKeyVPCBCCGCLGQVFP-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.33
Rot. Bonds6

About 4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol

4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol (PubChem CID 116504764) has the molecular formula C10H16O2S and a molecular weight of 200.30 g/mol. Its IUPAC name is 4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol.

Molecular Properties

Compound Name4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol
PubChem CID116504764
Molecular FormulaC10H16O2S
Molecular Weight200.30 g/mol
Exact Mass200.09
IUPAC Name4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol
SMILESCCSCCC(O)Cc1ccco1
InChIInChI=1S/C10H16O2S/c1-2-13-7-5-9(11)8-10-4-3-6-12-10/h3-4,6,9,11H,2,5,7-8H2,1H3
InChIKeyVPCBCCGCLGQVFP-UHFFFAOYSA-N
XLogP2.33
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-yl)hexan-2-ol
CID 83171633
N-(4-ethylsulfanylbutan-2-yl)-4-(furan-2-yl)butan-2-amine
CID 115725476
1-(furan-2-yl)-5-methoxyhexan-2-ol
CID 105122918
2-(furan-2-yl)ethane-1,1-diol
CID 156698008
4-cyclohexyl-1-(furan-2-yl)butan-2-ol
CID 115830128
2-(2-ethylbutyl)furan
CID 68844643
1-(furan-2-yl)-4-pyridin-2-ylbutan-2-ol
CID 105122992
furan-2-ylmethanol;propane-1,2,3-triol
CID 90073658
4-(furan-2-ylmethylsulfanyl)butan-2-amine
CID 64611326
1-(2,6-difluorophenyl)-3-(furan-2-yl)propan-2-ol
CID 115830159
1-(furan-2-yl)-4-methylsulfanylbutan-2-amine
CID 105177500
1-(furan-2-yl)-3-(4-methoxyphenoxy)propan-2-ol
CID 117246167

Frequently Asked Questions

What is the IUPAC name of 4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol?
The IUPAC name of 4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol (CID 116504764) is 4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol.
What is the SMILES notation for 4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol?
The canonical SMILES for 4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol is CCSCCC(O)Cc1ccco1.
What is the InChIKey of 4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol?
The InChIKey is VPCBCCGCLGQVFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O2S/c1-2-13-7-5-9(11)8-10-4-3-6-12-10/h3-4,6,9,11H,2,5,7-8H2,1H3.
What are the key properties of 4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol?
4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol has a molecular weight of 200.30 g/mol, XLogP of 2.33, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylsulfanyl-1-(furan-2-yl)butan-2-ol is sourced from PubChem (CID 116504764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).