9,10-bis(trifluoromethylsulfanyl)anthracene

C16H8F6S2 — CID 14149028

IUPAC9,10-bis(trifluoromethylsulfanyl)anthracene
SMILESFC(F)(F)Sc1c2ccccc2c(SC(F)(F)F)c2ccccc12
InChIInChI=1S/C16H8F6S2/c17-15(18,19)23-13-9-5-1-2-6-10(9)14(24-16(20,21)22)12-8-4-3-7-11(12)13/h1-8H
InChIKeyJZHHGDPIHWGZCO-UHFFFAOYSA-N
MW378.36 g/mol
LogP7.22
Rot. Bonds2

About 9,10-bis(trifluoromethylsulfanyl)anthracene

9,10-bis(trifluoromethylsulfanyl)anthracene (PubChem CID 14149028) has the molecular formula C16H8F6S2 and a molecular weight of 378.36 g/mol. Its IUPAC name is 9,10-bis(trifluoromethylsulfanyl)anthracene.

Molecular Properties

Compound Name9,10-bis(trifluoromethylsulfanyl)anthracene
PubChem CID14149028
Molecular FormulaC16H8F6S2
Molecular Weight378.36 g/mol
Exact Mass378.00
IUPAC Name9,10-bis(trifluoromethylsulfanyl)anthracene
SMILESFC(F)(F)Sc1c2ccccc2c(SC(F)(F)F)c2ccccc12
InChIInChI=1S/C16H8F6S2/c17-15(18,19)23-13-9-5-1-2-6-10(9)14(24-16(20,21)22)12-8-4-3-7-11(12)13/h1-8H
InChIKeyJZHHGDPIHWGZCO-UHFFFAOYSA-N
XLogP7.22
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.36
LogP ≤ 57.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Related Compounds

9-Anthracenethiol
CID 264192
9-(Trifluoromethylsulfanyl)anthracene
CID 102530662
1-[3-(4-Fluorophenyl)-5-methylphenyl]sulfanylnaphthalene
CID 139249064
9-(Trifluoromethylsulfanyl)phenanthrene
CID 162410748
Anthracene, 9,10-bis(methylthio)-
CID 139091
Anthracene-9,10-dithiol
CID 849498
9-t-Butylthio-10-fluoroanthracene
CID 129892551
2-[(E)-4-bromo-1,1,1-trifluoro-3-phenylsulfanylbut-2-en-2-yl]naphthalene
CID 134884928
2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]sulfanylnaphthalene
CID 135014493
(Z)-3-anthracen-9-ylsulfanyl-3-[4-(trifluoromethyl)phenyl]prop-2-enenitrile
CID 154718357
9-(Methylthio)phenanthrene
CID 10987905
Anthracene, 9-(methylthio)-
CID 11064094

Frequently Asked Questions

What is the IUPAC name of 9,10-bis(trifluoromethylsulfanyl)anthracene?
The IUPAC name of 9,10-bis(trifluoromethylsulfanyl)anthracene (CID 14149028) is 9,10-bis(trifluoromethylsulfanyl)anthracene.
What is the SMILES notation for 9,10-bis(trifluoromethylsulfanyl)anthracene?
The canonical SMILES for 9,10-bis(trifluoromethylsulfanyl)anthracene is FC(F)(F)Sc1c2ccccc2c(SC(F)(F)F)c2ccccc12.
What is the InChIKey of 9,10-bis(trifluoromethylsulfanyl)anthracene?
The InChIKey is JZHHGDPIHWGZCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F6S2/c17-15(18,19)23-13-9-5-1-2-6-10(9)14(24-16(20,21)22)12-8-4-3-7-11(12)13/h1-8H.
What are the key properties of 9,10-bis(trifluoromethylsulfanyl)anthracene?
9,10-bis(trifluoromethylsulfanyl)anthracene has a molecular weight of 378.36 g/mol, XLogP of 7.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9,10-bis(trifluoromethylsulfanyl)anthracene is sourced from PubChem (CID 14149028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).