2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde

C6H8N2OS — CID 173027618

IUPAC2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde
SMILESCc1cnc(SCC=O)[nH]1
InChIInChI=1S/C6H8N2OS/c1-5-4-7-6(8-5)10-3-2-9/h2,4H,3H2,1H3,(H,7,8)
InChIKeyFMUMRTXKNMOWRZ-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.01
Rot. Bonds3

About 2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde

2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde (PubChem CID 173027618) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde.

Molecular Properties

Compound Name2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde
PubChem CID173027618
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde
SMILESCc1cnc(SCC=O)[nH]1
InChIInChI=1S/C6H8N2OS/c1-5-4-7-6(8-5)10-3-2-9/h2,4H,3H2,1H3,(H,7,8)
InChIKeyFMUMRTXKNMOWRZ-UHFFFAOYSA-N
XLogP1.01
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Methylimidazolacetaldehyd
CID 87399347
2-[(Z)-prop-1-enyl]sulfanyl-5-(trifluoromethyl)-1H-imidazole
CID 143714279
2-[(5-tert-butyl-1H-imidazol-2-yl)sulfanyl]acetamide
CID 11042095
4-methyl-2-thiocyanato-1H-imidazole
CID 24973133
2-(Methylthio)-1H-imidazole-5-carbaldehyde
CID 12237771
4-[(Ethylsulfanyl)methyl]-1h-imidazole
CID 14197654
(5-methyl-1H-imidazol-2-yl)sulfanylmethanol
CID 19031058
5-methyl-N-(2-methylsulfanylethyl)-1H-imidazol-2-amine
CID 20285356
methyl N'-[2-(1H-imidazol-5-ylmethylsulfanyl)ethyl]carbamimidothioate
CID 20509957
2-ethylsulfanyl-1H-imidazole-5-carbaldehyde
CID 20623527
(2-ethylsulfanyl-1H-imidazol-5-yl)methanethiol
CID 20623529
(2-ethylsulfanyl-1H-imidazol-5-yl)methanol
CID 20623530

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde?
The IUPAC name of 2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde (CID 173027618) is 2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde.
What is the SMILES notation for 2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde?
The canonical SMILES for 2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde is Cc1cnc(SCC=O)[nH]1.
What is the InChIKey of 2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde?
The InChIKey is FMUMRTXKNMOWRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-5-4-7-6(8-5)10-3-2-9/h2,4H,3H2,1H3,(H,7,8).
What are the key properties of 2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde?
2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde has a molecular weight of 156.21 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-1H-imidazol-2-yl)sulfanyl]acetaldehyde is sourced from PubChem (CID 173027618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).