6-(imidazol-1-ylmethyl)chromene-2-thione

C13H10N2OS — CID 11356920

IUPAC6-(imidazol-1-ylmethyl)chromene-2-thione
SMILESS=c1ccc2cc(Cn3ccnc3)ccc2o1
InChIInChI=1S/C13H10N2OS/c17-13-4-2-11-7-10(1-3-12(11)16-13)8-15-6-5-14-9-15/h1-7,9H,8H2
InChIKeyDUPWCRFJOVHQKN-UHFFFAOYSA-N
MW242.30 g/mol
LogP3.41
Rot. Bonds2

About 6-(imidazol-1-ylmethyl)chromene-2-thione

6-(imidazol-1-ylmethyl)chromene-2-thione (PubChem CID 11356920) has the molecular formula C13H10N2OS and a molecular weight of 242.30 g/mol. Its IUPAC name is 6-(imidazol-1-ylmethyl)chromene-2-thione.

Molecular Properties

Compound Name6-(imidazol-1-ylmethyl)chromene-2-thione
PubChem CID11356920
Molecular FormulaC13H10N2OS
Molecular Weight242.30 g/mol
Exact Mass242.05
IUPAC Name6-(imidazol-1-ylmethyl)chromene-2-thione
SMILESS=c1ccc2cc(Cn3ccnc3)ccc2o1
InChIInChI=1S/C13H10N2OS/c17-13-4-2-11-7-10(1-3-12(11)16-13)8-15-6-5-14-9-15/h1-7,9H,8H2
InChIKeyDUPWCRFJOVHQKN-UHFFFAOYSA-N
XLogP3.41
TPSA30.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.30
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Neticonazole
CID 5282433
1-(2-phenoxybenzyl)-1H-imidazole
CID 46889432
1-[5-(4-ethylphenoxy)pentyl]-1H-imidazole
CID 2852313
Imidazole, 1-[2-(2,4,6-trimethylphenoxy)ethyl]-
CID 565898
2H-1-Benzopyran-2-one, 6-(1H-imidazol-1-ylmethyl)-
CID 11322098
7-(1H-Imidazol-1-ylmethyl)-2H-chromen-2-one
CID 11401873
1-[3-(2,6-dimethylphenoxy)propyl]-1H-imidazole
CID 2843475
1-[3-(mesityloxy)propyl]-1H-imidazole
CID 3847057
1-[Bis(4-methoxyphenyl)methyl]imidazole
CID 10968400
4-Imidazol-1-ylmethyl-2-phenoxy-benzonitrile
CID 21697020
2-(3-Cyano-phenoxy)-4-imidazol-1-ylmethyl-benzonitrile
CID 21697104
2H-1-Benzopyran-2-one, 4-(1H-imidazol-1-ylmethyl)-
CID 11276192

Frequently Asked Questions

What is the IUPAC name of 6-(imidazol-1-ylmethyl)chromene-2-thione?
The IUPAC name of 6-(imidazol-1-ylmethyl)chromene-2-thione (CID 11356920) is 6-(imidazol-1-ylmethyl)chromene-2-thione.
What is the SMILES notation for 6-(imidazol-1-ylmethyl)chromene-2-thione?
The canonical SMILES for 6-(imidazol-1-ylmethyl)chromene-2-thione is S=c1ccc2cc(Cn3ccnc3)ccc2o1.
What is the InChIKey of 6-(imidazol-1-ylmethyl)chromene-2-thione?
The InChIKey is DUPWCRFJOVHQKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2OS/c17-13-4-2-11-7-10(1-3-12(11)16-13)8-15-6-5-14-9-15/h1-7,9H,8H2.
What are the key properties of 6-(imidazol-1-ylmethyl)chromene-2-thione?
6-(imidazol-1-ylmethyl)chromene-2-thione has a molecular weight of 242.30 g/mol, XLogP of 3.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(imidazol-1-ylmethyl)chromene-2-thione is sourced from PubChem (CID 11356920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).