1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole

C6H10N4S — CID 88675050

IUPAC1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole
SMILESC1=NCCN1SN1C=NCC1
InChIInChI=1S/C6H10N4S/c1-3-9(5-7-1)11-10-4-2-8-6-10/h5-6H,1-4H2
InChIKeyRFTWKAVNUYFQHV-UHFFFAOYSA-N
MW170.24 g/mol
LogP0.24
Rot. Bonds2

About 1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole

1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole (PubChem CID 88675050) has the molecular formula C6H10N4S and a molecular weight of 170.24 g/mol. Its IUPAC name is 1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole
PubChem CID88675050
Molecular FormulaC6H10N4S
Molecular Weight170.24 g/mol
Exact Mass170.06
IUPAC Name1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole
SMILESC1=NCCN1SN1C=NCC1
InChIInChI=1S/C6H10N4S/c1-3-9(5-7-1)11-10-4-2-8-6-10/h5-6H,1-4H2
InChIKeyRFTWKAVNUYFQHV-UHFFFAOYSA-N
XLogP0.24
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.24
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole (CID 88675050) is 1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole is C1=NCCN1SN1C=NCC1.
What is the InChIKey of 1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole?
The InChIKey is RFTWKAVNUYFQHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4S/c1-3-9(5-7-1)11-10-4-2-8-6-10/h5-6H,1-4H2.
What are the key properties of 1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole?
1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole has a molecular weight of 170.24 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydroimidazol-1-ylsulfanyl)-4,5-dihydroimidazole is sourced from PubChem (CID 88675050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).