4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol

C8H4Cl2N2OS2 — CID 137079412

IUPAC4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol
SMILESOc1ccc(Cl)cc1/N=c1\ssnc1Cl
InChIInChI=1S/C8H4Cl2N2OS2/c9-4-1-2-6(13)5(3-4)11-8-7(10)12-15-14-8/h1-3,13H/b11-8-
InChIKeyXAFGSLBDVGHGJO-FLIBITNWSA-N
MW279.17 g/mol
LogP3.45
Rot. Bonds1

About 4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol

4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol (PubChem CID 137079412) has the molecular formula C8H4Cl2N2OS2 and a molecular weight of 279.17 g/mol. Its IUPAC name is 4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol.

Molecular Properties

Compound Name4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol
PubChem CID137079412
Molecular FormulaC8H4Cl2N2OS2
Molecular Weight279.17 g/mol
Exact Mass277.91
IUPAC Name4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol
SMILESOc1ccc(Cl)cc1/N=c1\ssnc1Cl
InChIInChI=1S/C8H4Cl2N2OS2/c9-4-1-2-6(13)5(3-4)11-8-7(10)12-15-14-8/h1-3,13H/b11-8-
InChIKeyXAFGSLBDVGHGJO-FLIBITNWSA-N
XLogP3.45
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.17
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_phenol_A(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol?
The IUPAC name of 4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol (CID 137079412) is 4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol.
What is the SMILES notation for 4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol?
The canonical SMILES for 4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol is Oc1ccc(Cl)cc1/N=c1\ssnc1Cl.
What is the InChIKey of 4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol?
The InChIKey is XAFGSLBDVGHGJO-FLIBITNWSA-N. The full InChI is InChI=1S/C8H4Cl2N2OS2/c9-4-1-2-6(13)5(3-4)11-8-7(10)12-15-14-8/h1-3,13H/b11-8-.
What are the key properties of 4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol?
4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol has a molecular weight of 279.17 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[(4-chlorodithiazol-5-ylidene)amino]phenol is sourced from PubChem (CID 137079412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).