3-(furan-2-ylmethyl)-2-methylthian-3-ol

C11H16O2S — CID 83173054

IUPAC3-(furan-2-ylmethyl)-2-methylthian-3-ol
SMILESCC1SCCCC1(O)Cc1ccco1
InChIInChI=1S/C11H16O2S/c1-9-11(12,5-3-7-14-9)8-10-4-2-6-13-10/h2,4,6,9,12H,3,5,7-8H2,1H3
InChIKeyOTSABABOMXVKRI-UHFFFAOYSA-N
MW212.31 g/mol
LogP2.47
Rot. Bonds2

About 3-(furan-2-ylmethyl)-2-methylthian-3-ol

3-(furan-2-ylmethyl)-2-methylthian-3-ol (PubChem CID 83173054) has the molecular formula C11H16O2S and a molecular weight of 212.31 g/mol. Its IUPAC name is 3-(furan-2-ylmethyl)-2-methylthian-3-ol.

Molecular Properties

Compound Name3-(furan-2-ylmethyl)-2-methylthian-3-ol
PubChem CID83173054
Molecular FormulaC11H16O2S
Molecular Weight212.31 g/mol
Exact Mass212.09
IUPAC Name3-(furan-2-ylmethyl)-2-methylthian-3-ol
SMILESCC1SCCCC1(O)Cc1ccco1
InChIInChI=1S/C11H16O2S/c1-9-11(12,5-3-7-14-9)8-10-4-2-6-13-10/h2,4,6,9,12H,3,5,7-8H2,1H3
InChIKeyOTSABABOMXVKRI-UHFFFAOYSA-N
XLogP2.47
TPSA33.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.31
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-benzothiophen-3-ylmethyl)-2-methylthian-3-ol
CID 79951470
3-[(2-methoxy-5-methylphenyl)methyl]-2-methylthian-3-ol
CID 79951679
1-(furan-2-ylmethyl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-ol
CID 83171533
3-(3,4-dihydro-1H-isochromen-1-ylmethyl)-2-methylthian-3-ol
CID 79951061
4-(furan-2-ylmethyl)-1-azabicyclo[3.2.1]octan-4-ol
CID 105366023
2-(furan-2-ylmethyl)thiolane-2-carbaldehyde
CID 131026682
3-[2-(4-methoxyphenyl)ethyl]-2-methylthian-3-ol
CID 79951268
2-[[1-(chloromethyl)cyclopropyl]methyl]furan
CID 66033762
1-(furan-2-ylmethyl)-4-propylcyclohexan-1-ol
CID 83171205
4-tert-butyl-1-(furan-2-ylmethyl)cyclohexan-1-amine
CID 65020416
4-(furan-2-ylmethyl)azepan-4-ol
CID 83685704
N-[2-(furan-2-yl)ethyl]-2-methylthian-3-amine
CID 79957454

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-ylmethyl)-2-methylthian-3-ol?
The IUPAC name of 3-(furan-2-ylmethyl)-2-methylthian-3-ol (CID 83173054) is 3-(furan-2-ylmethyl)-2-methylthian-3-ol.
What is the SMILES notation for 3-(furan-2-ylmethyl)-2-methylthian-3-ol?
The canonical SMILES for 3-(furan-2-ylmethyl)-2-methylthian-3-ol is CC1SCCCC1(O)Cc1ccco1.
What is the InChIKey of 3-(furan-2-ylmethyl)-2-methylthian-3-ol?
The InChIKey is OTSABABOMXVKRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16O2S/c1-9-11(12,5-3-7-14-9)8-10-4-2-6-13-10/h2,4,6,9,12H,3,5,7-8H2,1H3.
What are the key properties of 3-(furan-2-ylmethyl)-2-methylthian-3-ol?
3-(furan-2-ylmethyl)-2-methylthian-3-ol has a molecular weight of 212.31 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-ylmethyl)-2-methylthian-3-ol is sourced from PubChem (CID 83173054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).