8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde

C11H12OS — CID 83907482

IUPAC8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde
SMILESCc1cccc2c1SCCC2C=O
InChIInChI=1S/C11H12OS/c1-8-3-2-4-10-9(7-12)5-6-13-11(8)10/h2-4,7,9H,5-6H2,1H3
InChIKeyMHTOBDXEYXMMCG-UHFFFAOYSA-N
MW192.28 g/mol
LogP2.77
Rot. Bonds1

About 8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde

8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde (PubChem CID 83907482) has the molecular formula C11H12OS and a molecular weight of 192.28 g/mol. Its IUPAC name is 8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde.

Molecular Properties

Compound Name8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde
PubChem CID83907482
Molecular FormulaC11H12OS
Molecular Weight192.28 g/mol
Exact Mass192.06
IUPAC Name8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde
SMILESCc1cccc2c1SCCC2C=O
InChIInChI=1S/C11H12OS/c1-8-3-2-4-10-9(7-12)5-6-13-11(8)10/h2-4,7,9H,5-6H2,1H3
InChIKeyMHTOBDXEYXMMCG-UHFFFAOYSA-N
XLogP2.77
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.28
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde
CID 83909235
5-methylbicyclo[4.2.0]octa-1,3,5-triene-7-carbaldehyde
CID 105428926
5-isocyano-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 123919629
5-amino-1,2,3,4-tetrahydronaphthalene-1-carbaldehyde
CID 174491506
4-(methoxymethyl)-5,8-dimethyl-3,4-dihydro-2H-thiochromene
CID 22118423
[(4S)-8-fluoro-3,4-dihydro-2H-thiochromen-4-yl]azanium
CID 7131598
4-chloro-2,3-dihydro-1H-indene-1-carbaldehyde
CID 175292583
4,5,8-trimethyl-3,4-dihydro-2H-thiochromene
CID 141056299
2-[4-(aminomethyl)phenyl]-1-[(8-methyl-3,4-dihydro-2H-thiochromen-4-yl)imino]guanidine
CID 174716935
(5S)-5-formyl-5,6,7,8-tetrahydronaphthalene-1-carbonitrile
CID 124584420
7-methyl-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 83906145
1-cyclopropyl-2,3-dimethylbenzene;ethane;formic acid
CID 144560479

Frequently Asked Questions

What is the IUPAC name of 8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde?
The IUPAC name of 8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde (CID 83907482) is 8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde.
What is the SMILES notation for 8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde?
The canonical SMILES for 8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde is Cc1cccc2c1SCCC2C=O.
What is the InChIKey of 8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde?
The InChIKey is MHTOBDXEYXMMCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12OS/c1-8-3-2-4-10-9(7-12)5-6-13-11(8)10/h2-4,7,9H,5-6H2,1H3.
What are the key properties of 8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde?
8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde has a molecular weight of 192.28 g/mol, XLogP of 2.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-3,4-dihydro-2H-thiochromene-4-carbaldehyde is sourced from PubChem (CID 83907482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).