1-(disulfanylmethyl)-3,5-difluorobenzene

C7H6F2S2 — CID 143472792

IUPAC1-(disulfanylmethyl)-3,5-difluorobenzene
SMILESFc1cc(F)cc(CSS)c1
InChIInChI=1S/C7H6F2S2/c8-6-1-5(4-11-10)2-7(9)3-6/h1-3,10H,4H2
InChIKeyBJRUAEJIXRMKDR-UHFFFAOYSA-N
MW192.25 g/mol
LogP3.04
Rot. Bonds2

About 1-(disulfanylmethyl)-3,5-difluorobenzene

1-(disulfanylmethyl)-3,5-difluorobenzene (PubChem CID 143472792) has the molecular formula C7H6F2S2 and a molecular weight of 192.25 g/mol. Its IUPAC name is 1-(disulfanylmethyl)-3,5-difluorobenzene.

Molecular Properties

Compound Name1-(disulfanylmethyl)-3,5-difluorobenzene
PubChem CID143472792
Molecular FormulaC7H6F2S2
Molecular Weight192.25 g/mol
Exact Mass191.99
IUPAC Name1-(disulfanylmethyl)-3,5-difluorobenzene
SMILESFc1cc(F)cc(CSS)c1
InChIInChI=1S/C7H6F2S2/c8-6-1-5(4-11-10)2-7(9)3-6/h1-3,10H,4H2
InChIKeyBJRUAEJIXRMKDR-UHFFFAOYSA-N
XLogP3.04
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.25
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

1-[(3,5-difluorophenyl)methyl]-3,5-difluorobenzene
CID 54036374
(3,5-difluorophenyl)methyl thiocyanate;ethane
CID 142354034
1-(disulfanyl)-3,5-difluorobenzene
CID 87425076
1,3-difluoro-5-propylbenzene;fluoromethane
CID 143588669
1-ethyl-3,5-difluorobenzene;methanamine
CID 154650973
3,5-difluorobenzenethiol;methane;dihydrochloride
CID 174757194
1-(3,5-difluorophenyl)-N-methylsulfanylmethanamine
CID 143484731
1-[4-[(3,5-difluorophenyl)methylsulfanyl]phenyl]ethanamine
CID 105409391
3-[(3,5-difluorophenyl)methylsulfanyl]-2-methylpropanoic acid
CID 105402279
1-[(3,5-difluorophenyl)methylsulfonylmethyl]-3,5-difluorobenzene
CID 68587062
[5-[(3,5-difluorophenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 102629854
2-[(3,5-difluorophenyl)methyl]-1,3,5-trimethylbenzene
CID 150549971

Frequently Asked Questions

What is the IUPAC name of 1-(disulfanylmethyl)-3,5-difluorobenzene?
The IUPAC name of 1-(disulfanylmethyl)-3,5-difluorobenzene (CID 143472792) is 1-(disulfanylmethyl)-3,5-difluorobenzene.
What is the SMILES notation for 1-(disulfanylmethyl)-3,5-difluorobenzene?
The canonical SMILES for 1-(disulfanylmethyl)-3,5-difluorobenzene is Fc1cc(F)cc(CSS)c1.
What is the InChIKey of 1-(disulfanylmethyl)-3,5-difluorobenzene?
The InChIKey is BJRUAEJIXRMKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2S2/c8-6-1-5(4-11-10)2-7(9)3-6/h1-3,10H,4H2.
What are the key properties of 1-(disulfanylmethyl)-3,5-difluorobenzene?
1-(disulfanylmethyl)-3,5-difluorobenzene has a molecular weight of 192.25 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(disulfanylmethyl)-3,5-difluorobenzene is sourced from PubChem (CID 143472792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).