1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol

C9H14O2S — CID 83174968

IUPAC1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol
SMILESCCSCC(O)Cc1ccoc1
InChIInChI=1S/C9H14O2S/c1-2-12-7-9(10)5-8-3-4-11-6-8/h3-4,6,9-10H,2,5,7H2,1H3
InChIKeyPHIWJKVYEZHIHZ-UHFFFAOYSA-N
MW186.28 g/mol
LogP1.94
Rot. Bonds5

About 1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol

1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol (PubChem CID 83174968) has the molecular formula C9H14O2S and a molecular weight of 186.28 g/mol. Its IUPAC name is 1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol.

Molecular Properties

Compound Name1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol
PubChem CID83174968
Molecular FormulaC9H14O2S
Molecular Weight186.28 g/mol
Exact Mass186.07
IUPAC Name1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol
SMILESCCSCC(O)Cc1ccoc1
InChIInChI=1S/C9H14O2S/c1-2-12-7-9(10)5-8-3-4-11-6-8/h3-4,6,9-10H,2,5,7H2,1H3
InChIKeyPHIWJKVYEZHIHZ-UHFFFAOYSA-N
XLogP1.94
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.28
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(furan-3-yl)butan-2-ol
CID 83171486
3-(furan-3-ylmethylsulfanyl)propane-1,2-diol
CID 83171742
1-(furan-3-yl)-3-(4-methylphenyl)propan-2-ol
CID 83171853
4-(furan-3-yl)-3-methylbutan-2-ol
CID 83182885
5-ethoxy-1-(furan-3-yl)pentan-2-ol
CID 105123168
1-(3,4-dichlorophenyl)-3-ethylsulfanylpropan-2-ol
CID 65130613
1,2-bis(furan-3-yl)ethanol
CID 83172033
2-(furan-3-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 83173147
2-(furan-3-yl)-1-(4-methylphenyl)ethanol
CID 11206462
3-ethylfuran;methanol
CID 174626479
3-(diethylamino)-3-ethyl-1-(furan-3-yl)pentan-2-ol
CID 83175769
(2S)-3-(furan-3-ylmethylamino)propane-1,2-diol
CID 104874092

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol?
The IUPAC name of 1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol (CID 83174968) is 1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol.
What is the SMILES notation for 1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol?
The canonical SMILES for 1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol is CCSCC(O)Cc1ccoc1.
What is the InChIKey of 1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol?
The InChIKey is PHIWJKVYEZHIHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O2S/c1-2-12-7-9(10)5-8-3-4-11-6-8/h3-4,6,9-10H,2,5,7H2,1H3.
What are the key properties of 1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol?
1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol has a molecular weight of 186.28 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfanyl-3-(furan-3-yl)propan-2-ol is sourced from PubChem (CID 83174968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).