8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene

C10H14S — CID 123520263

IUPAC8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene
SMILESCC1C=CC=C2CCCSC21
InChIInChI=1S/C10H14S/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2,4-5,8,10H,3,6-7H2,1H3
InChIKeyVJAGIPFQNYRIPY-UHFFFAOYSA-N
MW166.29 g/mol
LogP3.01
Rot. Bonds

About 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene

8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene (PubChem CID 123520263) has the molecular formula C10H14S and a molecular weight of 166.29 g/mol. Its IUPAC name is 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene.

Molecular Properties

Compound Name8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene
PubChem CID123520263
Molecular FormulaC10H14S
Molecular Weight166.29 g/mol
Exact Mass166.08
IUPAC Name8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene
SMILESCC1C=CC=C2CCCSC21
InChIInChI=1S/C10H14S/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2,4-5,8,10H,3,6-7H2,1H3
InChIKeyVJAGIPFQNYRIPY-UHFFFAOYSA-N
XLogP3.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.29
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene?
The IUPAC name of 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene (CID 123520263) is 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene.
What is the SMILES notation for 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene?
The canonical SMILES for 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene is CC1C=CC=C2CCCSC21.
What is the InChIKey of 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene?
The InChIKey is VJAGIPFQNYRIPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14S/c1-8-4-2-5-9-6-3-7-11-10(8)9/h2,4-5,8,10H,3,6-7H2,1H3.
What are the key properties of 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene?
8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene has a molecular weight of 166.29 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene is sourced from PubChem (CID 123520263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).