3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol

C8H12O3S — CID 104922695

IUPAC3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
SMILESCc1occc1SCC(O)CO
InChIInChI=1S/C8H12O3S/c1-6-8(2-3-11-6)12-5-7(10)4-9/h2-3,7,9-10H,4-5H2,1H3
InChIKeyZBNLLPNCWPBSBK-UHFFFAOYSA-N
MW188.25 g/mol
LogP1.03
Rot. Bonds4

About 3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol

3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol (PubChem CID 104922695) has the molecular formula C8H12O3S and a molecular weight of 188.25 g/mol. Its IUPAC name is 3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol.

Molecular Properties

Compound Name3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
PubChem CID104922695
Molecular FormulaC8H12O3S
Molecular Weight188.25 g/mol
Exact Mass188.05
IUPAC Name3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol
SMILESCc1occc1SCC(O)CO
InChIInChI=1S/C8H12O3S/c1-6-8(2-3-11-6)12-5-7(10)4-9/h2-3,7,9-10H,4-5H2,1H3
InChIKeyZBNLLPNCWPBSBK-UHFFFAOYSA-N
XLogP1.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.25
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779054
2-(ethylamino)-3-(2-methylfuran-3-yl)sulfanylpropan-1-ol
CID 107784672
1-(2-methylfuran-3-yl)sulfanyl-3-piperazin-1-ylpropan-2-ol
CID 107781612
2-methyl-3-(2-methylbutylsulfanyl)furan
CID 91705262
ethyl 2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanoate
CID 107779061
2-methyl-3-(2-methylfuran-3-yl)sulfanylpropanimidamide
CID 107780463
3-(ethylamino)-4-(2-methylfuran-3-yl)sulfanylbutan-1-ol
CID 107784101
1-(3-aminophenoxy)-3-(2-methylfuran-3-yl)sulfanylpropan-2-ol
CID 107779961
3-(2-methylfuran-3-yl)sulfanyl-2-(propan-2-ylamino)propanamide
CID 107782021
2,2-dimethyl-3-(2-methylfuran-3-yl)sulfanylpropanoic acid
CID 107779028
1-cyclopropyl-2-(2-methylfuran-3-yl)sulfanylethanamine
CID 107784256
1-(2-methylfuran-3-yl)sulfanyl-N-propylpropan-2-amine
CID 107784170

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol?
The IUPAC name of 3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol (CID 104922695) is 3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol.
What is the SMILES notation for 3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol?
The canonical SMILES for 3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol is Cc1occc1SCC(O)CO.
What is the InChIKey of 3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol?
The InChIKey is ZBNLLPNCWPBSBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12O3S/c1-6-8(2-3-11-6)12-5-7(10)4-9/h2-3,7,9-10H,4-5H2,1H3.
What are the key properties of 3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol?
3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol has a molecular weight of 188.25 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylfuran-3-yl)sulfanylpropane-1,2-diol is sourced from PubChem (CID 104922695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).