(2R)-2-methyl-2H-thiochromene-3-carbaldehyde

C11H10OS — CID 101402835

IUPAC(2R)-2-methyl-2H-thiochromene-3-carbaldehyde
SMILESC[C@H]1Sc2ccccc2C=C1C=O
InChIInChI=1S/C11H10OS/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-8H,1H3/t8-/m1/s1
InChIKeyPQJOARUCLCMODZ-MRVPVSSYSA-N
MW190.27 g/mol
LogP2.76
Rot. Bonds1

About (2R)-2-methyl-2H-thiochromene-3-carbaldehyde

(2R)-2-methyl-2H-thiochromene-3-carbaldehyde (PubChem CID 101402835) has the molecular formula C11H10OS and a molecular weight of 190.27 g/mol. Its IUPAC name is (2R)-2-methyl-2H-thiochromene-3-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-methyl-2H-thiochromene-3-carbaldehyde
PubChem CID101402835
Molecular FormulaC11H10OS
Molecular Weight190.27 g/mol
Exact Mass190.05
IUPAC Name(2R)-2-methyl-2H-thiochromene-3-carbaldehyde
SMILESC[C@H]1Sc2ccccc2C=C1C=O
InChIInChI=1S/C11H10OS/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-8H,1H3/t8-/m1/s1
InChIKeyPQJOARUCLCMODZ-MRVPVSSYSA-N
XLogP2.76
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-methyl-2H-thiochromene-3-carbaldehyde?
The IUPAC name of (2R)-2-methyl-2H-thiochromene-3-carbaldehyde (CID 101402835) is (2R)-2-methyl-2H-thiochromene-3-carbaldehyde.
What is the SMILES notation for (2R)-2-methyl-2H-thiochromene-3-carbaldehyde?
The canonical SMILES for (2R)-2-methyl-2H-thiochromene-3-carbaldehyde is C[C@H]1Sc2ccccc2C=C1C=O.
What is the InChIKey of (2R)-2-methyl-2H-thiochromene-3-carbaldehyde?
The InChIKey is PQJOARUCLCMODZ-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H10OS/c1-8-10(7-12)6-9-4-2-3-5-11(9)13-8/h2-8H,1H3/t8-/m1/s1.
What are the key properties of (2R)-2-methyl-2H-thiochromene-3-carbaldehyde?
(2R)-2-methyl-2H-thiochromene-3-carbaldehyde has a molecular weight of 190.27 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-methyl-2H-thiochromene-3-carbaldehyde is sourced from PubChem (CID 101402835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).