3-methyl-4-methylsulfanylthiophene-2-thiol

C6H8S3 — CID 57311847

IUPAC3-methyl-4-methylsulfanylthiophene-2-thiol
SMILESCSc1csc(S)c1C
InChIInChI=1S/C6H8S3/c1-4-5(8-2)3-9-6(4)7/h3,7H,1-2H3
InChIKeyMMEHYKUWWIVFMK-UHFFFAOYSA-N
MW176.33 g/mol
LogP3.07
Rot. Bonds1

About 3-methyl-4-methylsulfanylthiophene-2-thiol

3-methyl-4-methylsulfanylthiophene-2-thiol (PubChem CID 57311847) has the molecular formula C6H8S3 and a molecular weight of 176.33 g/mol. Its IUPAC name is 3-methyl-4-methylsulfanylthiophene-2-thiol.

Molecular Properties

Compound Name3-methyl-4-methylsulfanylthiophene-2-thiol
PubChem CID57311847
Molecular FormulaC6H8S3
Molecular Weight176.33 g/mol
Exact Mass175.98
IUPAC Name3-methyl-4-methylsulfanylthiophene-2-thiol
SMILESCSc1csc(S)c1C
InChIInChI=1S/C6H8S3/c1-4-5(8-2)3-9-6(4)7/h3,7H,1-2H3
InChIKeyMMEHYKUWWIVFMK-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-methyl-4-methylsulfanylthiophene-2-thiol?
The IUPAC name of 3-methyl-4-methylsulfanylthiophene-2-thiol (CID 57311847) is 3-methyl-4-methylsulfanylthiophene-2-thiol.
What is the SMILES notation for 3-methyl-4-methylsulfanylthiophene-2-thiol?
The canonical SMILES for 3-methyl-4-methylsulfanylthiophene-2-thiol is CSc1csc(S)c1C.
What is the InChIKey of 3-methyl-4-methylsulfanylthiophene-2-thiol?
The InChIKey is MMEHYKUWWIVFMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8S3/c1-4-5(8-2)3-9-6(4)7/h3,7H,1-2H3.
What are the key properties of 3-methyl-4-methylsulfanylthiophene-2-thiol?
3-methyl-4-methylsulfanylthiophene-2-thiol has a molecular weight of 176.33 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-methylsulfanylthiophene-2-thiol is sourced from PubChem (CID 57311847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).