2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde

C6H8N2OS — CID 82416126

IUPAC2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde
SMILESCc1cn(CC=O)c(=S)[nH]1
InChIInChI=1S/C6H8N2OS/c1-5-4-8(2-3-9)6(10)7-5/h3-4H,2H2,1H3,(H,7,10)
InChIKeyRILQBARSKXOAMG-UHFFFAOYSA-N
MW156.21 g/mol
LogP1.05
Rot. Bonds2

About 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde

2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde (PubChem CID 82416126) has the molecular formula C6H8N2OS and a molecular weight of 156.21 g/mol. Its IUPAC name is 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde.

Molecular Properties

Compound Name2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde
PubChem CID82416126
Molecular FormulaC6H8N2OS
Molecular Weight156.21 g/mol
Exact Mass156.04
IUPAC Name2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde
SMILESCc1cn(CC=O)c(=S)[nH]1
InChIInChI=1S/C6H8N2OS/c1-5-4-8(2-3-9)6(10)7-5/h3-4H,2H2,1H3,(H,7,10)
InChIKeyRILQBARSKXOAMG-UHFFFAOYSA-N
XLogP1.05
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.21
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-Formyl-1,3-dimethyl-1,3(2H)-dihydroimidazole-2-thione
CID 593497
AC1Nswv9
CID 5371640
3-butyl-2-sulfanylidene-1H-imidazole-5-carbaldehyde
CID 21628928
Ethane;2-sulfanylidene-1,3-dihydroimidazole-4-carbaldehyde
CID 143328329
methanol;3-methyl-2-sulfanylidene-1H-imidazole-4-carbaldehyde
CID 145537547
2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetamide
CID 81335479
3-[2-(dimethylamino)ethyl]-2-sulfanylidene-1H-imidazole-4-carbaldehyde
CID 82397704
2-(4,5-dimethyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde
CID 82412403
2-(5-ethyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde
CID 82412404
3-propyl-2-sulfanylidene-1H-imidazole-4-carbaldehyde
CID 82412405
3-propan-2-yl-2-sulfanylidene-1H-imidazole-4-carbaldehyde
CID 82412406
2-(4-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde
CID 82416125

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde?
The IUPAC name of 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde (CID 82416126) is 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde.
What is the SMILES notation for 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde?
The canonical SMILES for 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde is Cc1cn(CC=O)c(=S)[nH]1.
What is the InChIKey of 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde?
The InChIKey is RILQBARSKXOAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2OS/c1-5-4-8(2-3-9)6(10)7-5/h3-4H,2H2,1H3,(H,7,10).
What are the key properties of 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde?
2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde has a molecular weight of 156.21 g/mol, XLogP of 1.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-2-sulfanylidene-1H-imidazol-3-yl)acetaldehyde is sourced from PubChem (CID 82416126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).