(5-methylfuran-2-yl)methanethiol

C6H8OS — CID 521873

IUPAC(5-methylfuran-2-yl)methanethiol
SMILESCc1ccc(CS)o1
InChIInChI=1S/C6H8OS/c1-5-2-3-6(4-8)7-5/h2-3,8H,4H2,1H3
InChIKeyMGLMZOFGBDYNMH-UHFFFAOYSA-N
MW128.20 g/mol
LogP2.02
Rot. Bonds1

About (5-methylfuran-2-yl)methanethiol

(5-methylfuran-2-yl)methanethiol (PubChem CID 521873) has the molecular formula C6H8OS and a molecular weight of 128.20 g/mol. Its IUPAC name is (5-methylfuran-2-yl)methanethiol.

Molecular Properties

Compound Name(5-methylfuran-2-yl)methanethiol
PubChem CID521873
Molecular FormulaC6H8OS
Molecular Weight128.20 g/mol
Exact Mass128.03
IUPAC Name(5-methylfuran-2-yl)methanethiol
SMILESCc1ccc(CS)o1
InChIInChI=1S/C6H8OS/c1-5-2-3-6(4-8)7-5/h2-3,8H,4H2,1H3
InChIKeyMGLMZOFGBDYNMH-UHFFFAOYSA-N
XLogP2.02
TPSA13.14 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.20
LogP ≤ 52.02
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 (5-methylfuran-2-yl)methanethiol?
The IUPAC name of (5-methylfuran-2-yl)methanethiol (CID 521873) is (5-methylfuran-2-yl)methanethiol.
What is the SMILES notation for (5-methylfuran-2-yl)methanethiol?
The canonical SMILES for (5-methylfuran-2-yl)methanethiol is Cc1ccc(CS)o1.
What is the InChIKey of (5-methylfuran-2-yl)methanethiol?
The InChIKey is MGLMZOFGBDYNMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8OS/c1-5-2-3-6(4-8)7-5/h2-3,8H,4H2,1H3.
What are the key properties of (5-methylfuran-2-yl)methanethiol?
(5-methylfuran-2-yl)methanethiol has a molecular weight of 128.20 g/mol, XLogP of 2.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methylfuran-2-yl)methanethiol is sourced from PubChem (CID 521873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).