(3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium

C19H12ClF4S+ — CID 58689471

IUPAC(3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium
SMILESCc1ccc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C19H12ClF4S/c1-11-2-3-16(10-19(11)20)25(17-6-12(21)4-13(22)7-17)18-8-14(23)5-15(24)9-18/h2-10H,1H3/q+1
InChIKeyDAPLSTJNSALBPP-UHFFFAOYSA-N
MW383.82 g/mol
LogP6.30
Rot. Bonds3

About (3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium

(3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium (PubChem CID 58689471) has the molecular formula C19H12ClF4S+ and a molecular weight of 383.82 g/mol. Its IUPAC name is (3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium.

Molecular Properties

Compound Name(3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium
PubChem CID58689471
Molecular FormulaC19H12ClF4S+
Molecular Weight383.82 g/mol
Exact Mass383.03
IUPAC Name(3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium
SMILESCc1ccc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1Cl
InChIInChI=1S/C19H12ClF4S/c1-11-2-3-16(10-19(11)20)25(17-6-12(21)4-13(22)7-17)18-8-14(23)5-15(24)9-18/h2-10H,1H3/q+1
InChIKeyDAPLSTJNSALBPP-UHFFFAOYSA-N
XLogP6.30
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.82
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium?
The IUPAC name of (3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium (CID 58689471) is (3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium.
What is the SMILES notation for (3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium?
The canonical SMILES for (3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium is Cc1ccc([S+](c2cc(F)cc(F)c2)c2cc(F)cc(F)c2)cc1Cl.
What is the InChIKey of (3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium?
The InChIKey is DAPLSTJNSALBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClF4S/c1-11-2-3-16(10-19(11)20)25(17-6-12(21)4-13(22)7-17)18-8-14(23)5-15(24)9-18/h2-10H,1H3/q+1.
What are the key properties of (3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium?
(3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium has a molecular weight of 383.82 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-methylphenyl)-bis(3,5-difluorophenyl)sulfanium is sourced from PubChem (CID 58689471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).