2-methylidene-3,4-dihydrothiochromene

C10H10S — CID 54526175

IUPAC2-methylidene-3,4-dihydrothiochromene
SMILESC=C1CCc2ccccc2S1
InChIInChI=1S/C10H10S/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-5H,1,6-7H2
InChIKeyCMXOKRYJNDTDCO-UHFFFAOYSA-N
MW162.26 g/mol
LogP3.24
Rot. Bonds

About 2-methylidene-3,4-dihydrothiochromene

2-methylidene-3,4-dihydrothiochromene (PubChem CID 54526175) has the molecular formula C10H10S and a molecular weight of 162.26 g/mol. Its IUPAC name is 2-methylidene-3,4-dihydrothiochromene.

Molecular Properties

Compound Name2-methylidene-3,4-dihydrothiochromene
PubChem CID54526175
Molecular FormulaC10H10S
Molecular Weight162.26 g/mol
Exact Mass162.05
IUPAC Name2-methylidene-3,4-dihydrothiochromene
SMILESC=C1CCc2ccccc2S1
InChIInChI=1S/C10H10S/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-5H,1,6-7H2
InChIKeyCMXOKRYJNDTDCO-UHFFFAOYSA-N
XLogP3.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.26
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-methylidene-3,4-dihydrothiochromene?
The IUPAC name of 2-methylidene-3,4-dihydrothiochromene (CID 54526175) is 2-methylidene-3,4-dihydrothiochromene.
What is the SMILES notation for 2-methylidene-3,4-dihydrothiochromene?
The canonical SMILES for 2-methylidene-3,4-dihydrothiochromene is C=C1CCc2ccccc2S1.
What is the InChIKey of 2-methylidene-3,4-dihydrothiochromene?
The InChIKey is CMXOKRYJNDTDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10S/c1-8-6-7-9-4-2-3-5-10(9)11-8/h2-5H,1,6-7H2.
What are the key properties of 2-methylidene-3,4-dihydrothiochromene?
2-methylidene-3,4-dihydrothiochromene has a molecular weight of 162.26 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidene-3,4-dihydrothiochromene is sourced from PubChem (CID 54526175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).