8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide

C10H14OS — CID 118618097

IUPAC8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide
SMILESCC1C=CC=C2CCCS(=O)C21
InChIInChI=1S/C10H14OS/c1-8-4-2-5-9-6-3-7-12(11)10(8)9/h2,4-5,8,10H,3,6-7H2,1H3
InChIKeyWSFQSYGFLASYFW-UHFFFAOYSA-N
MW182.29 g/mol
LogP2.03
Rot. Bonds

About 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide

8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide (PubChem CID 118618097) has the molecular formula C10H14OS and a molecular weight of 182.29 g/mol. Its IUPAC name is 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide.

Molecular Properties

Compound Name8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide
PubChem CID118618097
Molecular FormulaC10H14OS
Molecular Weight182.29 g/mol
Exact Mass182.08
IUPAC Name8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide
SMILESCC1C=CC=C2CCCS(=O)C21
InChIInChI=1S/C10H14OS/c1-8-4-2-5-9-6-3-7-12(11)10(8)9/h2,4-5,8,10H,3,6-7H2,1H3
InChIKeyWSFQSYGFLASYFW-UHFFFAOYSA-N
XLogP2.03
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.29
LogP ≤ 52.03
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 1-oxide?
The IUPAC name of 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide (CID 118618097) is 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide.
What is the SMILES notation for 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide?
The canonical SMILES for 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide is CC1C=CC=C2CCCS(=O)C21.
What is the InChIKey of 8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide?
The InChIKey is WSFQSYGFLASYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14OS/c1-8-4-2-5-9-6-3-7-12(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 1-oxide?
8-methyl-3,4,8,8a-tetrahydro-2H-thiochromene 1-oxide has a molecular weight of 182.29 g/mol, XLogP of 2.03, 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 1-oxide is sourced from PubChem (CID 118618097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).