N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine

C9H6BrClN2S2 — CID 86656504

IUPACN-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine
SMILESCc1ccc(Br)c(/N=c2/ssnc2Cl)c1
InChIInChI=1S/C9H6BrClN2S2/c1-5-2-3-6(10)7(4-5)12-9-8(11)13-15-14-9/h2-4H,1H3/b12-9+
InChIKeyMCWZGXDBIUZYLX-FMIVXFBMSA-N
MW321.65 g/mol
LogP4.16
Rot. Bonds1

About N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine

N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine (PubChem CID 86656504) has the molecular formula C9H6BrClN2S2 and a molecular weight of 321.65 g/mol. Its IUPAC name is N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine.

Molecular Properties

Compound NameN-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine
PubChem CID86656504
Molecular FormulaC9H6BrClN2S2
Molecular Weight321.65 g/mol
Exact Mass319.88
IUPAC NameN-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine
SMILESCc1ccc(Br)c(/N=c2/ssnc2Cl)c1
InChIInChI=1S/C9H6BrClN2S2/c1-5-2-3-6(10)7(4-5)12-9-8(11)13-15-14-9/h2-4H,1H3/b12-9+
InChIKeyMCWZGXDBIUZYLX-FMIVXFBMSA-N
XLogP4.16
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.65
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine?
The IUPAC name of N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine (CID 86656504) is N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine.
What is the SMILES notation for N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine?
The canonical SMILES for N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine is Cc1ccc(Br)c(/N=c2/ssnc2Cl)c1.
What is the InChIKey of N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine?
The InChIKey is MCWZGXDBIUZYLX-FMIVXFBMSA-N. The full InChI is InChI=1S/C9H6BrClN2S2/c1-5-2-3-6(10)7(4-5)12-9-8(11)13-15-14-9/h2-4H,1H3/b12-9+.
What are the key properties of N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine?
N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine has a molecular weight of 321.65 g/mol, XLogP of 4.16, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromo-5-methylphenyl)-4-chlorodithiazol-5-imine is sourced from PubChem (CID 86656504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).