4-chloro-N-(4-fluorophenyl)dithiazol-5-imine

C8H4ClFN2S2 — CID 10634201

IUPAC4-chloro-N-(4-fluorophenyl)dithiazol-5-imine
SMILESFc1ccc(/N=c2/ssnc2Cl)cc1
InChIInChI=1S/C8H4ClFN2S2/c9-7-8(13-14-12-7)11-6-3-1-5(10)2-4-6/h1-4H/b11-8+
InChIKeyGMPLQDWACPFCAF-DHZHZOJOSA-N
MW246.72 g/mol
LogP3.23
Rot. Bonds1

About 4-chloro-N-(4-fluorophenyl)dithiazol-5-imine

4-chloro-N-(4-fluorophenyl)dithiazol-5-imine (PubChem CID 10634201) has the molecular formula C8H4ClFN2S2 and a molecular weight of 246.72 g/mol. Its IUPAC name is 4-chloro-N-(4-fluorophenyl)dithiazol-5-imine.

Molecular Properties

Compound Name4-chloro-N-(4-fluorophenyl)dithiazol-5-imine
PubChem CID10634201
Molecular FormulaC8H4ClFN2S2
Molecular Weight246.72 g/mol
Exact Mass245.95
IUPAC Name4-chloro-N-(4-fluorophenyl)dithiazol-5-imine
SMILESFc1ccc(/N=c2/ssnc2Cl)cc1
InChIInChI=1S/C8H4ClFN2S2/c9-7-8(13-14-12-7)11-6-3-1-5(10)2-4-6/h1-4H/b11-8+
InChIKeyGMPLQDWACPFCAF-DHZHZOJOSA-N
XLogP3.23
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.72
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-fluorophenyl)dithiazol-5-imine?
The IUPAC name of 4-chloro-N-(4-fluorophenyl)dithiazol-5-imine (CID 10634201) is 4-chloro-N-(4-fluorophenyl)dithiazol-5-imine.
What is the SMILES notation for 4-chloro-N-(4-fluorophenyl)dithiazol-5-imine?
The canonical SMILES for 4-chloro-N-(4-fluorophenyl)dithiazol-5-imine is Fc1ccc(/N=c2/ssnc2Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-fluorophenyl)dithiazol-5-imine?
The InChIKey is GMPLQDWACPFCAF-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H4ClFN2S2/c9-7-8(13-14-12-7)11-6-3-1-5(10)2-4-6/h1-4H/b11-8+.
What are the key properties of 4-chloro-N-(4-fluorophenyl)dithiazol-5-imine?
4-chloro-N-(4-fluorophenyl)dithiazol-5-imine has a molecular weight of 246.72 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-fluorophenyl)dithiazol-5-imine is sourced from PubChem (CID 10634201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).