5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde

C10H9NO2S — CID 10512519

IUPAC5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde
SMILESCSc1[nH]c2ccc(O)cc2c1C=O
InChIInChI=1S/C10H9NO2S/c1-14-10-8(5-12)7-4-6(13)2-3-9(7)11-10/h2-5,11,13H,1H3
InChIKeyXHFRBQAHRPOBRN-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.41
Rot. Bonds2

About 5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde

5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde (PubChem CID 10512519) has the molecular formula C10H9NO2S and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde
PubChem CID10512519
Molecular FormulaC10H9NO2S
Molecular Weight207.25 g/mol
Exact Mass207.04
IUPAC Name5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde
SMILESCSc1[nH]c2ccc(O)cc2c1C=O
InChIInChI=1S/C10H9NO2S/c1-14-10-8(5-12)7-4-6(13)2-3-9(7)11-10/h2-5,11,13H,1H3
InChIKeyXHFRBQAHRPOBRN-UHFFFAOYSA-N
XLogP2.41
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-hydroxy-2-(1-thiophen-2-ylethyl)-1H-indole-3-carbaldehyde
CID 87816035
5-methyl-2-methylsulfanyl-3-nitroso-1H-indole
CID 71344196
2-(2,6-difluorophenyl)-5-methyl-1H-indole-3-carbaldehyde
CID 87406474
tert-butyl 5-hydroxy-2-methyl-1H-indole-3-carboxylate
CID 54440936
6-hydroxy-1H-indole-2-carbaldehyde
CID 82415497
6-hydroxy-2-(2-methylbut-3-en-2-yl)-1H-indole-3-carbaldehyde
CID 134856304
6-methoxy-9H-carbazol-3-ol
CID 142959347
6-methyl-9H-carbazol-2-ol
CID 91665228
N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide
CID 118108334
2-(hydroxymethyl)-5-methoxy-1H-indole-3-carbaldehyde
CID 118108331
ethyl 4-formyl-5-hydroxy-1H-indole-2-carboxylate
CID 11064318
6-hydroxy-3-methylsulfanyl-1-benzothiophene-2-carbaldehyde
CID 131122804

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde?
The IUPAC name of 5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde (CID 10512519) is 5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde is CSc1[nH]c2ccc(O)cc2c1C=O.
What is the InChIKey of 5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde?
The InChIKey is XHFRBQAHRPOBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO2S/c1-14-10-8(5-12)7-4-6(13)2-3-9(7)11-10/h2-5,11,13H,1H3.
What are the key properties of 5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde?
5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde has a molecular weight of 207.25 g/mol, XLogP of 2.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methylsulfanyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 10512519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).