4-methylthiophene-2-thiol

C5H6S2 — CID 22755398

IUPAC4-methylthiophene-2-thiol
SMILESCc1csc(S)c1
InChIInChI=1S/C5H6S2/c1-4-2-5(6)7-3-4/h2-3,6H,1H3
InChIKeyVSTFEGXJAYSPCO-UHFFFAOYSA-N
MW130.24 g/mol
LogP2.35
Rot. Bonds

About 4-methylthiophene-2-thiol

4-methylthiophene-2-thiol (PubChem CID 22755398) has the molecular formula C5H6S2 and a molecular weight of 130.24 g/mol. Its IUPAC name is 4-methylthiophene-2-thiol.

Molecular Properties

Compound Name4-methylthiophene-2-thiol
PubChem CID22755398
Molecular FormulaC5H6S2
Molecular Weight130.24 g/mol
Exact Mass129.99
IUPAC Name4-methylthiophene-2-thiol
SMILESCc1csc(S)c1
InChIInChI=1S/C5H6S2/c1-4-2-5(6)7-3-4/h2-3,6H,1H3
InChIKeyVSTFEGXJAYSPCO-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.24
LogP ≤ 52.35
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 4-methylthiophene-2-thiol?
The IUPAC name of 4-methylthiophene-2-thiol (CID 22755398) is 4-methylthiophene-2-thiol.
What is the SMILES notation for 4-methylthiophene-2-thiol?
The canonical SMILES for 4-methylthiophene-2-thiol is Cc1csc(S)c1.
What is the InChIKey of 4-methylthiophene-2-thiol?
The InChIKey is VSTFEGXJAYSPCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6S2/c1-4-2-5(6)7-3-4/h2-3,6H,1H3.
What are the key properties of 4-methylthiophene-2-thiol?
4-methylthiophene-2-thiol has a molecular weight of 130.24 g/mol, XLogP of 2.35, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylthiophene-2-thiol is sourced from PubChem (CID 22755398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).