1-sulfanyl-4,5-dihydroimidazole

C3H6N2S — CID 18182394

IUPAC1-sulfanyl-4,5-dihydroimidazole
SMILESSN1C=NCC1
InChIInChI=1S/C3H6N2S/c6-5-2-1-4-3-5/h3,6H,1-2H2
InChIKeyJZFMNFJEQDUBPL-UHFFFAOYSA-N
MW102.16 g/mol
LogP0.18
Rot. Bonds

About 1-sulfanyl-4,5-dihydroimidazole

1-sulfanyl-4,5-dihydroimidazole (PubChem CID 18182394) has the molecular formula C3H6N2S and a molecular weight of 102.16 g/mol. Its IUPAC name is 1-sulfanyl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-sulfanyl-4,5-dihydroimidazole
PubChem CID18182394
Molecular FormulaC3H6N2S
Molecular Weight102.16 g/mol
Exact Mass102.03
IUPAC Name1-sulfanyl-4,5-dihydroimidazole
SMILESSN1C=NCC1
InChIInChI=1S/C3H6N2S/c6-5-2-1-4-3-5/h3,6H,1-2H2
InChIKeyJZFMNFJEQDUBPL-UHFFFAOYSA-N
XLogP0.18
TPSA15.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.16
LogP ≤ 50.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

Fluoro imidazoline
CID 18356385
Iodo-imidazoline
CID 57092540
Imidazoline bromide
CID 88867978
1-Methylidene-4,5-dihydroimidazol-1-ium
CID 91425446
Imidazolinyl silane
CID 57081935
4,5-Dihydroimidazol-3-ide
CID 17958029
1-Chloro-4,5-dihydroimidazole
CID 20451877
CID 53627683
CID 53627683
1-Sulfanylidene-4,5-dihydroimidazol-1-ium
CID 57030459
4,5-Dihydroimidazole-1-sulfinate
CID 57097838
Copper(1+);4,5-dihydroimidazol-3-ide
CID 69533995
1-(4,5-Dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole
CID 88675050

Frequently Asked Questions

What is the IUPAC name of 1-sulfanyl-4,5-dihydroimidazole?
The IUPAC name of 1-sulfanyl-4,5-dihydroimidazole (CID 18182394) is 1-sulfanyl-4,5-dihydroimidazole.
What is the SMILES notation for 1-sulfanyl-4,5-dihydroimidazole?
The canonical SMILES for 1-sulfanyl-4,5-dihydroimidazole is SN1C=NCC1.
What is the InChIKey of 1-sulfanyl-4,5-dihydroimidazole?
The InChIKey is JZFMNFJEQDUBPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2S/c6-5-2-1-4-3-5/h3,6H,1-2H2.
What are the key properties of 1-sulfanyl-4,5-dihydroimidazole?
1-sulfanyl-4,5-dihydroimidazole has a molecular weight of 102.16 g/mol, XLogP of 0.18, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-sulfanyl-4,5-dihydroimidazole is sourced from PubChem (CID 18182394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).