1-(furan-3-yl)-3-methylsulfanylpropan-1-ol

C8H12O2S — CID 63948750

IUPAC1-(furan-3-yl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)c1ccoc1
InChIInChI=1S/C8H12O2S/c1-11-5-3-8(9)7-2-4-10-6-7/h2,4,6,8-9H,3,5H2,1H3
InChIKeyYOMGLWLGRYOLPD-UHFFFAOYSA-N
MW172.25 g/mol
LogP2.07
Rot. Bonds4

About 1-(furan-3-yl)-3-methylsulfanylpropan-1-ol

1-(furan-3-yl)-3-methylsulfanylpropan-1-ol (PubChem CID 63948750) has the molecular formula C8H12O2S and a molecular weight of 172.25 g/mol. Its IUPAC name is 1-(furan-3-yl)-3-methylsulfanylpropan-1-ol.

Molecular Properties

Compound Name1-(furan-3-yl)-3-methylsulfanylpropan-1-ol
PubChem CID63948750
Molecular FormulaC8H12O2S
Molecular Weight172.25 g/mol
Exact Mass172.06
IUPAC Name1-(furan-3-yl)-3-methylsulfanylpropan-1-ol
SMILESCSCCC(O)c1ccoc1
InChIInChI=1S/C8H12O2S/c1-11-5-3-8(9)7-2-4-10-6-7/h2,4,6,8-9H,3,5H2,1H3
InChIKeyYOMGLWLGRYOLPD-UHFFFAOYSA-N
XLogP2.07
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.25
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-3-methylsulfanylpropan-1-ol?
The IUPAC name of 1-(furan-3-yl)-3-methylsulfanylpropan-1-ol (CID 63948750) is 1-(furan-3-yl)-3-methylsulfanylpropan-1-ol.
What is the SMILES notation for 1-(furan-3-yl)-3-methylsulfanylpropan-1-ol?
The canonical SMILES for 1-(furan-3-yl)-3-methylsulfanylpropan-1-ol is CSCCC(O)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-3-methylsulfanylpropan-1-ol?
The InChIKey is YOMGLWLGRYOLPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O2S/c1-11-5-3-8(9)7-2-4-10-6-7/h2,4,6,8-9H,3,5H2,1H3.
What are the key properties of 1-(furan-3-yl)-3-methylsulfanylpropan-1-ol?
1-(furan-3-yl)-3-methylsulfanylpropan-1-ol has a molecular weight of 172.25 g/mol, XLogP of 2.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-3-methylsulfanylpropan-1-ol is sourced from PubChem (CID 63948750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).