4-methyl-2,3-dihydrothiochromene-4-thiol

C10H12S2 — CID 142608887

IUPAC4-methyl-2,3-dihydrothiochromene-4-thiol
SMILESCC1(S)CCSc2ccccc21
InChIInChI=1S/C10H12S2/c1-10(11)6-7-12-9-5-3-2-4-8(9)10/h2-5,11H,6-7H2,1H3
InChIKeyZTTKQTPRWVPJCP-UHFFFAOYSA-N
MW196.34 g/mol
LogP3.33
Rot. Bonds

About 4-methyl-2,3-dihydrothiochromene-4-thiol

4-methyl-2,3-dihydrothiochromene-4-thiol (PubChem CID 142608887) has the molecular formula C10H12S2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-methyl-2,3-dihydrothiochromene-4-thiol.

Molecular Properties

Compound Name4-methyl-2,3-dihydrothiochromene-4-thiol
PubChem CID142608887
Molecular FormulaC10H12S2
Molecular Weight196.34 g/mol
Exact Mass196.04
IUPAC Name4-methyl-2,3-dihydrothiochromene-4-thiol
SMILESCC1(S)CCSc2ccccc21
InChIInChI=1S/C10H12S2/c1-10(11)6-7-12-9-5-3-2-4-8(9)10/h2-5,11H,6-7H2,1H3
InChIKeyZTTKQTPRWVPJCP-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 53.33
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-methyl-2,3-dihydrothiochromene-4-thiol?
The IUPAC name of 4-methyl-2,3-dihydrothiochromene-4-thiol (CID 142608887) is 4-methyl-2,3-dihydrothiochromene-4-thiol.
What is the SMILES notation for 4-methyl-2,3-dihydrothiochromene-4-thiol?
The canonical SMILES for 4-methyl-2,3-dihydrothiochromene-4-thiol is CC1(S)CCSc2ccccc21.
What is the InChIKey of 4-methyl-2,3-dihydrothiochromene-4-thiol?
The InChIKey is ZTTKQTPRWVPJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12S2/c1-10(11)6-7-12-9-5-3-2-4-8(9)10/h2-5,11H,6-7H2,1H3.
What are the key properties of 4-methyl-2,3-dihydrothiochromene-4-thiol?
4-methyl-2,3-dihydrothiochromene-4-thiol has a molecular weight of 196.34 g/mol, XLogP of 3.33, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,3-dihydrothiochromene-4-thiol is sourced from PubChem (CID 142608887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).