(2-phenylsulfanylimidazol-1-yl) thiohypofluorite

C9H7FN2S2 — CID 142028915

IUPAC(2-phenylsulfanylimidazol-1-yl) thiohypofluorite
SMILESFSn1ccnc1Sc1ccccc1
InChIInChI=1S/C9H7FN2S2/c10-14-12-7-6-11-9(12)13-8-4-2-1-3-5-8/h1-7H
InChIKeyICFWMXQTMMTRBE-UHFFFAOYSA-N
MW226.30 g/mol
LogP3.42
Rot. Bonds3

About (2-phenylsulfanylimidazol-1-yl) thiohypofluorite

(2-phenylsulfanylimidazol-1-yl) thiohypofluorite (PubChem CID 142028915) has the molecular formula C9H7FN2S2 and a molecular weight of 226.30 g/mol. Its IUPAC name is (2-phenylsulfanylimidazol-1-yl) thiohypofluorite.

Molecular Properties

Compound Name(2-phenylsulfanylimidazol-1-yl) thiohypofluorite
PubChem CID142028915
Molecular FormulaC9H7FN2S2
Molecular Weight226.30 g/mol
Exact Mass226.00
IUPAC Name(2-phenylsulfanylimidazol-1-yl) thiohypofluorite
SMILESFSn1ccnc1Sc1ccccc1
InChIInChI=1S/C9H7FN2S2/c10-14-12-7-6-11-9(12)13-8-4-2-1-3-5-8/h1-7H
InChIKeyICFWMXQTMMTRBE-UHFFFAOYSA-N
XLogP3.42
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.30
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-Phenylsulfanylbutyl)imidazole
CID 58580494
5-phenylsulfanyl-1H-imidazole
CID 4365996
2-[2-(Benzenesulfonyl)ethylsulfanyl]-1-methylimidazole
CID 2821197
1H-Imidazole-1-sulfonamide, N,N-dimethyl-2-(phenylthio)-
CID 3730978
2-(Phenylthio)imidazole
CID 21994921
1-Methyl-2-phenylsulfanyl-1H-imidazole
CID 10241768
1H-Imidazole, 1-(methoxymethyl)-2-(phenylthio)-
CID 11020414
1-Methyl-2-(4-methylphenyl)sulfanylimidazole
CID 11333187
1-Ethoxymethyl-5-methylsulfanyl-2-phenylsulfanyl-1h-imidazole
CID 12840603
2,5-Bis-phenylsulfanyl-1h-imidazole
CID 12840611
1-Methyl-2-[4-(trifluoromethyl)phenyl]sulfanylimidazole
CID 15077504
2-(2-Fluorophenyl)sulfanylimidazol-1-amine
CID 58076142

Frequently Asked Questions

What is the IUPAC name of (2-phenylsulfanylimidazol-1-yl) thiohypofluorite?
The IUPAC name of (2-phenylsulfanylimidazol-1-yl) thiohypofluorite (CID 142028915) is (2-phenylsulfanylimidazol-1-yl) thiohypofluorite.
What is the SMILES notation for (2-phenylsulfanylimidazol-1-yl) thiohypofluorite?
The canonical SMILES for (2-phenylsulfanylimidazol-1-yl) thiohypofluorite is FSn1ccnc1Sc1ccccc1.
What is the InChIKey of (2-phenylsulfanylimidazol-1-yl) thiohypofluorite?
The InChIKey is ICFWMXQTMMTRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2S2/c10-14-12-7-6-11-9(12)13-8-4-2-1-3-5-8/h1-7H.
What are the key properties of (2-phenylsulfanylimidazol-1-yl) thiohypofluorite?
(2-phenylsulfanylimidazol-1-yl) thiohypofluorite has a molecular weight of 226.30 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-phenylsulfanylimidazol-1-yl) thiohypofluorite is sourced from PubChem (CID 142028915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).