6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde

C11H12O2S — CID 83909235

IUPAC6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde
SMILESCOc1ccc2c(c1)C(C=O)CCS2
InChIInChI=1S/C11H12O2S/c1-13-9-2-3-11-10(6-9)8(7-12)4-5-14-11/h2-3,6-8H,4-5H2,1H3
InChIKeyLGIQURKMPMFRJW-UHFFFAOYSA-N
MW208.28 g/mol
LogP2.47
Rot. Bonds2

About 6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde

6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde (PubChem CID 83909235) has the molecular formula C11H12O2S and a molecular weight of 208.28 g/mol. Its IUPAC name is 6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde.

Molecular Properties

Compound Name6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde
PubChem CID83909235
Molecular FormulaC11H12O2S
Molecular Weight208.28 g/mol
Exact Mass208.06
IUPAC Name6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde
SMILESCOc1ccc2c(c1)C(C=O)CCS2
InChIInChI=1S/C11H12O2S/c1-13-9-2-3-11-10(6-9)8(7-12)4-5-14-11/h2-3,6-8H,4-5H2,1H3
InChIKeyLGIQURKMPMFRJW-UHFFFAOYSA-N
XLogP2.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-(isocyanatomethyl)-6-methoxy-3,4-dihydro-2H-thiochromene
CID 83841981
7-methoxy-4-methyl-3,4-dihydro-2H-thiochromene
CID 121216944
2-(7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)ethanamine
CID 82388911
2-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)acetic acid
CID 83911058
(4S)-7-methoxy-3,4-dihydro-2H-chromene-4-carbaldehyde
CID 124547873
acetaldehyde;7-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene
CID 175495891
5-methoxy-2,3-dihydro-1H-indole-3-carbaldehyde
CID 89159810
(2R)-1-[[(5R)-7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-yl]amino]propan-2-ol
CID 99824226
3-(5-methoxy-2,3-dihydro-1-benzothiophen-3-yl)-2-methylpropanoic acid
CID 117202458
N'-(3,5-dimethoxyphenyl)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-yl)ethane-1,2-diamine
CID 166234247
N-ethyl-8-methoxy-2,3,4,5-tetrahydro-1-benzothiepin-5-amine
CID 102972118
2-cyclohexyl-1-fluoro-4-methoxybenzene;formic acid
CID 155731035

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde?
The IUPAC name of 6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde (CID 83909235) is 6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde.
What is the SMILES notation for 6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde?
The canonical SMILES for 6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde is COc1ccc2c(c1)C(C=O)CCS2.
What is the InChIKey of 6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde?
The InChIKey is LGIQURKMPMFRJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12O2S/c1-13-9-2-3-11-10(6-9)8(7-12)4-5-14-11/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde?
6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde has a molecular weight of 208.28 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-3,4-dihydro-2H-thiochromene-4-carbaldehyde is sourced from PubChem (CID 83909235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).