4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine

C6H5ClN4S2 — CID 25241620

IUPAC4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine
SMILESCc1cc(/N=c2\ssnc2Cl)n[nH]1
InChIInChI=1S/C6H5ClN4S2/c1-3-2-4(10-9-3)8-6-5(7)11-13-12-6/h2H,1H3,(H,9,10)/b8-6-
InChIKeyQJQUWLCLTZUIIK-VURMDHGXSA-N
MW232.72 g/mol
LogP2.12
Rot. Bonds1

About 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine

4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine (PubChem CID 25241620) has the molecular formula C6H5ClN4S2 and a molecular weight of 232.72 g/mol. Its IUPAC name is 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine.

Molecular Properties

Compound Name4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine
PubChem CID25241620
Molecular FormulaC6H5ClN4S2
Molecular Weight232.72 g/mol
Exact Mass231.96
IUPAC Name4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine
SMILESCc1cc(/N=c2\ssnc2Cl)n[nH]1
InChIInChI=1S/C6H5ClN4S2/c1-3-2-4(10-9-3)8-6-5(7)11-13-12-6/h2H,1H3,(H,9,10)/b8-6-
InChIKeyQJQUWLCLTZUIIK-VURMDHGXSA-N
XLogP2.12
TPSA53.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.72
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine?
The IUPAC name of 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine (CID 25241620) is 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine.
What is the SMILES notation for 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine?
The canonical SMILES for 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine is Cc1cc(/N=c2\ssnc2Cl)n[nH]1.
What is the InChIKey of 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine?
The InChIKey is QJQUWLCLTZUIIK-VURMDHGXSA-N. The full InChI is InChI=1S/C6H5ClN4S2/c1-3-2-4(10-9-3)8-6-5(7)11-13-12-6/h2H,1H3,(H,9,10)/b8-6-.
What are the key properties of 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine?
4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine has a molecular weight of 232.72 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(5-methyl-1H-pyrazol-3-yl)dithiazol-5-imine is sourced from PubChem (CID 25241620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).