(2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde

C14H10O2S — CID 44517365

IUPAC(2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2ccccc2O[C@@H]1c1cccs1
InChIInChI=1S/C14H10O2S/c15-9-11-8-10-4-1-2-5-12(10)16-14(11)13-6-3-7-17-13/h1-9,14H/t14-/m0/s1
InChIKeySHXNAAVMPNLZTB-AWEZNQCLSA-N
MW242.30 g/mol
LogP3.46
Rot. Bonds2

About (2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde

(2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde (PubChem CID 44517365) has the molecular formula C14H10O2S and a molecular weight of 242.30 g/mol. Its IUPAC name is (2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde.

Molecular Properties

Compound Name(2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde
PubChem CID44517365
Molecular FormulaC14H10O2S
Molecular Weight242.30 g/mol
Exact Mass242.04
IUPAC Name(2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde
SMILESO=CC1=Cc2ccccc2O[C@@H]1c1cccs1
InChIInChI=1S/C14H10O2S/c15-9-11-8-10-4-1-2-5-12(10)16-14(11)13-6-3-7-17-13/h1-9,14H/t14-/m0/s1
InChIKeySHXNAAVMPNLZTB-AWEZNQCLSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.46
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

(2S)-2-methyl-2H-chromene-3-carbaldehyde
CID 907603
2-thiophen-2-yl-3-(thiophen-2-ylmethylidene)chromen-4-one
CID 4319233
2-undecyl-2H-chromene-3-carbaldehyde
CID 18185237
ethyl (2Z,5S)-7-methyl-2-[[(2S)-2-methyl-2H-chromen-3-yl]methylidene]-3-oxo-5-thiophen-2-yl-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
CID 40830856
2-thiophen-2-yl-2,3-dihydro-1,3-benzoxazin-4-one
CID 3239870
4-hydroxy-3-phenyl-2-thiophen-2-yl-2H-furan-5-one
CID 102167920
2-sulfanylidene-5-thiophen-2-yl-1,3-oxazolidin-4-one
CID 21271225
2-formyl-2H-chromene-3-carboxylic acid
CID 87892181
(5E)-2-phenyl-5-[(2-phenyl-2H-chromen-3-yl)methylidene]-[1,3]thiazolo[3,2-b][1,2,4]triazol-6-one
CID 19260562
4-thiophen-2-ylpiperidine-1-carbaldehyde
CID 89385438
(2R)-3-nitro-2-phenyl-2H-chromene
CID 672286
3-(2-methoxyethyl)-5-[[(2R)-2-phenyl-2H-chromen-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
CID 7025487

Frequently Asked Questions

What is the IUPAC name of (2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde?
The IUPAC name of (2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde (CID 44517365) is (2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde.
What is the SMILES notation for (2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde?
The canonical SMILES for (2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde is O=CC1=Cc2ccccc2O[C@@H]1c1cccs1.
What is the InChIKey of (2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde?
The InChIKey is SHXNAAVMPNLZTB-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H10O2S/c15-9-11-8-10-4-1-2-5-12(10)16-14(11)13-6-3-7-17-13/h1-9,14H/t14-/m0/s1.
What are the key properties of (2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde?
(2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde has a molecular weight of 242.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-thiophen-2-yl-2H-chromene-3-carbaldehyde is sourced from PubChem (CID 44517365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).