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

C8H4Cl2N2S2 — CID 691683

IUPAC4-chloro-N-(4-chlorophenyl)dithiazol-5-imine
SMILESClc1ccc(/N=c2/ssnc2Cl)cc1
InChIInChI=1S/C8H4Cl2N2S2/c9-5-1-3-6(4-2-5)11-8-7(10)12-14-13-8/h1-4H/b11-8+
InChIKeyUKVZDQXUGYXTLF-DHZHZOJOSA-N
MW263.17 g/mol
LogP3.74
Rot. Bonds1

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

4-chloro-N-(4-chlorophenyl)dithiazol-5-imine (PubChem CID 691683) has the molecular formula C8H4Cl2N2S2 and a molecular weight of 263.17 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)dithiazol-5-imine.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)dithiazol-5-imine
PubChem CID691683
Molecular FormulaC8H4Cl2N2S2
Molecular Weight263.17 g/mol
Exact Mass261.92
IUPAC Name4-chloro-N-(4-chlorophenyl)dithiazol-5-imine
SMILESClc1ccc(/N=c2/ssnc2Cl)cc1
InChIInChI=1S/C8H4Cl2N2S2/c9-5-1-3-6(4-2-5)11-8-7(10)12-14-13-8/h1-4H/b11-8+
InChIKeyUKVZDQXUGYXTLF-DHZHZOJOSA-N
XLogP3.74
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Chlorophenyl isothiocyanate
CID 16480
4-chloro-N-phenyldithiazol-5-imine
CID 483860
Carbonimidic dichloride, N-(4-chlorophenyl)-
CID 76012
4-chloro-N-(4-chloro-2-methylphenyl)-5-dithiazolimine
CID 1471255
(Z)-4-chloro-N-(4-iodophenyl)dithiazol-5-imine
CID 22765936
Benzenamine, 4-chloro-N-sulfinyl-
CID 83193
4-chloro-N-(4-fluorophenyl)dithiazol-5-imine
CID 10634201
N1-(1,3-dithiolan-2-yliden)-4-chloroaniline
CID 2725807
(5E)-4-Chloro-N-(2-chlorophenyl)-5H-1,2,3-dithiazol-5-imine
CID 13410841
4-Chloro-n-methylideneaniline
CID 264286
4-chloro-N-(3,4-dichlorophenyl)dithiazol-5-imine
CID 2769041
N-(4-chlorophenyl)-2,2,2-trifluoroethanecarbonimidoyl chloride
CID 10243436

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)dithiazol-5-imine?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)dithiazol-5-imine (CID 691683) is 4-chloro-N-(4-chlorophenyl)dithiazol-5-imine.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)dithiazol-5-imine?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)dithiazol-5-imine is Clc1ccc(/N=c2/ssnc2Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)dithiazol-5-imine?
The InChIKey is UKVZDQXUGYXTLF-DHZHZOJOSA-N. The full InChI is InChI=1S/C8H4Cl2N2S2/c9-5-1-3-6(4-2-5)11-8-7(10)12-14-13-8/h1-4H/b11-8+.
What are the key properties of 4-chloro-N-(4-chlorophenyl)dithiazol-5-imine?
4-chloro-N-(4-chlorophenyl)dithiazol-5-imine has a molecular weight of 263.17 g/mol, XLogP of 3.74, 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-chlorophenyl)dithiazol-5-imine is sourced from PubChem (CID 691683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).