1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene

C8H5Cl2F3S2 — CID 10613640

IUPAC1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene
SMILESFC(F)(F)SCSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H5Cl2F3S2/c9-6-2-1-5(3-7(6)10)14-4-15-8(11,12)13/h1-3H,4H2
InChIKeySAIPBMAWJYRVET-UHFFFAOYSA-N
MW293.16 g/mol
LogP5.30
Rot. Bonds3

About 1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene

1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene (PubChem CID 10613640) has the molecular formula C8H5Cl2F3S2 and a molecular weight of 293.16 g/mol. Its IUPAC name is 1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene.

Molecular Properties

Compound Name1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene
PubChem CID10613640
Molecular FormulaC8H5Cl2F3S2
Molecular Weight293.16 g/mol
Exact Mass291.92
IUPAC Name1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene
SMILESFC(F)(F)SCSc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C8H5Cl2F3S2/c9-6-2-1-5(3-7(6)10)14-4-15-8(11,12)13/h1-3H,4H2
InChIKeySAIPBMAWJYRVET-UHFFFAOYSA-N
XLogP5.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.16
LogP ≤ 55.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene?
The IUPAC name of 1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene (CID 10613640) is 1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene.
What is the SMILES notation for 1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene?
The canonical SMILES for 1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene is FC(F)(F)SCSc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene?
The InChIKey is SAIPBMAWJYRVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl2F3S2/c9-6-2-1-5(3-7(6)10)14-4-15-8(11,12)13/h1-3H,4H2.
What are the key properties of 1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene?
1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene has a molecular weight of 293.16 g/mol, XLogP of 5.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dichloro-4-(trifluoromethylsulfanylmethylsulfanyl)benzene is sourced from PubChem (CID 10613640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).