4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione

C10H12N2OS — CID 91258735

IUPAC4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione
SMILESOc1[nH]c(=S)[nH]c1C=C1CC=CCC1
InChIInChI=1S/C10H12N2OS/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-2,6,13H,3-5H2,(H2,11,12,14)
InChIKeyJSNRTCUTWDWERG-UHFFFAOYSA-N
MW208.29 g/mol
LogP2.90
Rot. Bonds1

About 4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione

4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione (PubChem CID 91258735) has the molecular formula C10H12N2OS and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione
PubChem CID91258735
Molecular FormulaC10H12N2OS
Molecular Weight208.29 g/mol
Exact Mass208.07
IUPAC Name4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione
SMILESOc1[nH]c(=S)[nH]c1C=C1CC=CCC1
InChIInChI=1S/C10H12N2OS/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-2,6,13H,3-5H2,(H2,11,12,14)
InChIKeyJSNRTCUTWDWERG-UHFFFAOYSA-N
XLogP2.90
TPSA51.81 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione (CID 91258735) is 4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione is Oc1[nH]c(=S)[nH]c1C=C1CC=CCC1.
What is the InChIKey of 4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione?
The InChIKey is JSNRTCUTWDWERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2OS/c13-9-8(11-10(14)12-9)6-7-4-2-1-3-5-7/h1-2,6,13H,3-5H2,(H2,11,12,14).
What are the key properties of 4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione?
4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione has a molecular weight of 208.29 g/mol, XLogP of 2.90, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohex-3-en-1-ylidenemethyl)-5-hydroxy-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 91258735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).