2-methyl-3H-furan-2-thiol

C5H8OS — CID 87489861

IUPAC2-methyl-3H-furan-2-thiol
SMILESCC1(S)CC=CO1
InChIInChI=1S/C5H8OS/c1-5(7)3-2-4-6-5/h2,4,7H,3H2,1H3
InChIKeySZDHUDIMUSDFAG-UHFFFAOYSA-N
MW116.18 g/mol
LogP1.57
Rot. Bonds

About 2-methyl-3H-furan-2-thiol

2-methyl-3H-furan-2-thiol (PubChem CID 87489861) has the molecular formula C5H8OS and a molecular weight of 116.18 g/mol. Its IUPAC name is 2-methyl-3H-furan-2-thiol.

Molecular Properties

Compound Name2-methyl-3H-furan-2-thiol
PubChem CID87489861
Molecular FormulaC5H8OS
Molecular Weight116.18 g/mol
Exact Mass116.03
IUPAC Name2-methyl-3H-furan-2-thiol
SMILESCC1(S)CC=CO1
InChIInChI=1S/C5H8OS/c1-5(7)3-2-4-6-5/h2,4,7H,3H2,1H3
InChIKeySZDHUDIMUSDFAG-UHFFFAOYSA-N
XLogP1.57
TPSA9.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3H-furan-2-thiol?
The IUPAC name of 2-methyl-3H-furan-2-thiol (CID 87489861) is 2-methyl-3H-furan-2-thiol.
What is the SMILES notation for 2-methyl-3H-furan-2-thiol?
The canonical SMILES for 2-methyl-3H-furan-2-thiol is CC1(S)CC=CO1.
What is the InChIKey of 2-methyl-3H-furan-2-thiol?
The InChIKey is SZDHUDIMUSDFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-5(7)3-2-4-6-5/h2,4,7H,3H2,1H3.
What are the key properties of 2-methyl-3H-furan-2-thiol?
2-methyl-3H-furan-2-thiol has a molecular weight of 116.18 g/mol, XLogP of 1.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3H-furan-2-thiol is sourced from PubChem (CID 87489861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).