ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite

C12H15FN2S — CID 167444701

IUPACethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite
SMILESCC.Cc1nc(-c2ccccc2)cn1SF
InChIInChI=1S/C10H9FN2S.C2H6/c1-8-12-10(7-13(8)14-11)9-5-3-2-4-6-9;1-2/h2-7H,1H3;1-2H3
InChIKeyIIPFPDPAVYTOKM-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.27
Rot. Bonds2

About ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite

ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite (PubChem CID 167444701) has the molecular formula C12H15FN2S and a molecular weight of 238.33 g/mol. Its IUPAC name is ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite.

Molecular Properties

Compound Nameethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite
PubChem CID167444701
Molecular FormulaC12H15FN2S
Molecular Weight238.33 g/mol
Exact Mass238.09
IUPAC Nameethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite
SMILESCC.Cc1nc(-c2ccccc2)cn1SF
InChIInChI=1S/C10H9FN2S.C2H6/c1-8-12-10(7-13(8)14-11)9-5-3-2-4-6-9;1-2/h2-7H,1H3;1-2H3
InChIKeyIIPFPDPAVYTOKM-UHFFFAOYSA-N
XLogP4.27
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 174689897
CID 174689897
N-methyl-2-(2-methyl-4-phenylimidazol-1-yl)ethanamine
CID 82512554
5-methyl-2-phenylimidazo[1,2-a]pyridine
CID 735395
1-(4-methylphenyl)-2,4-diphenylimidazole
CID 10638706
2-methyl-6-phenylimidazo[2,1-b][1,3,4]selenadiazole
CID 621889
2,3-bis(4-fluorophenyl)-6-phenylimidazo[1,2-b][1,2,4]triazine
CID 70789952
1-methyl-4-phenyltriazole
CID 11309663
1-fluoro-4-phenyltriazole
CID 162765474
3-methyl-1-[2-(4-phenyl-1-propan-2-ylimidazol-2-yl)ethyl]-1,2,4-triazole
CID 150762794
3-methyl-6-phenylimidazo[2,1-b][1,3]oxazole
CID 10703102
2,3,5-triphenyl-6-[4-(3,5,6-triphenylpyrazin-2-yl)phenyl]pyrazine
CID 139681938
N-(2-fluoroethyl)-N-methyl-2-phenylimidazo[1,2-a]pyrimidin-7-amine
CID 86342382

Frequently Asked Questions

What is the IUPAC name of ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite?
The IUPAC name of ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite (CID 167444701) is ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite.
What is the SMILES notation for ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite?
The canonical SMILES for ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite is CC.Cc1nc(-c2ccccc2)cn1SF.
What is the InChIKey of ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite?
The InChIKey is IIPFPDPAVYTOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2S.C2H6/c1-8-12-10(7-13(8)14-11)9-5-3-2-4-6-9;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite?
ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite has a molecular weight of 238.33 g/mol, XLogP of 4.27, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2-methyl-4-phenylimidazol-1-yl) thiohypofluorite is sourced from PubChem (CID 167444701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).