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

C9H7ClN2S2 — CID 715719

IUPAC4-chloro-N-(4-methylphenyl)dithiazol-5-imine
SMILESCc1ccc(/N=c2\ssnc2Cl)cc1
InChIInChI=1S/C9H7ClN2S2/c1-6-2-4-7(5-3-6)11-9-8(10)12-14-13-9/h2-5H,1H3/b11-9-
InChIKeyNMXUDKKDUSZJDB-LUAWRHEFSA-N
MW242.76 g/mol
LogP3.40
Rot. Bonds1

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

4-chloro-N-(4-methylphenyl)dithiazol-5-imine (PubChem CID 715719) has the molecular formula C9H7ClN2S2 and a molecular weight of 242.76 g/mol. Its IUPAC name is 4-chloro-N-(4-methylphenyl)dithiazol-5-imine.

Molecular Properties

Compound Name4-chloro-N-(4-methylphenyl)dithiazol-5-imine
PubChem CID715719
Molecular FormulaC9H7ClN2S2
Molecular Weight242.76 g/mol
Exact Mass241.97
IUPAC Name4-chloro-N-(4-methylphenyl)dithiazol-5-imine
SMILESCc1ccc(/N=c2\ssnc2Cl)cc1
InChIInChI=1S/C9H7ClN2S2/c1-6-2-4-7(5-3-6)11-9-8(10)12-14-13-9/h2-5H,1H3/b11-9-
InChIKeyNMXUDKKDUSZJDB-LUAWRHEFSA-N
XLogP3.40
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.76
LogP ≤ 53.40
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-methylphenyl)dithiazol-5-imine?
The IUPAC name of 4-chloro-N-(4-methylphenyl)dithiazol-5-imine (CID 715719) is 4-chloro-N-(4-methylphenyl)dithiazol-5-imine.
What is the SMILES notation for 4-chloro-N-(4-methylphenyl)dithiazol-5-imine?
The canonical SMILES for 4-chloro-N-(4-methylphenyl)dithiazol-5-imine is Cc1ccc(/N=c2\ssnc2Cl)cc1.
What is the InChIKey of 4-chloro-N-(4-methylphenyl)dithiazol-5-imine?
The InChIKey is NMXUDKKDUSZJDB-LUAWRHEFSA-N. The full InChI is InChI=1S/C9H7ClN2S2/c1-6-2-4-7(5-3-6)11-9-8(10)12-14-13-9/h2-5H,1H3/b11-9-.
What are the key properties of 4-chloro-N-(4-methylphenyl)dithiazol-5-imine?
4-chloro-N-(4-methylphenyl)dithiazol-5-imine has a molecular weight of 242.76 g/mol, XLogP of 3.40, 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-methylphenyl)dithiazol-5-imine is sourced from PubChem (CID 715719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).