2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine

C7H6ClN5S — CID 164655152

IUPAC2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine
SMILESCc1nc(Cl)nc(Sc2ncc[nH]2)n1
InChIInChI=1S/C7H6ClN5S/c1-4-11-5(8)13-7(12-4)14-6-9-2-3-10-6/h2-3H,1H3,(H,9,10)
InChIKeyKRGWNKIFEOJRTN-UHFFFAOYSA-N
MW227.68 g/mol
LogP1.71
Rot. Bonds2

About 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine

2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine (PubChem CID 164655152) has the molecular formula C7H6ClN5S and a molecular weight of 227.68 g/mol. Its IUPAC name is 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine
PubChem CID164655152
Molecular FormulaC7H6ClN5S
Molecular Weight227.68 g/mol
Exact Mass227.00
IUPAC Name2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine
SMILESCc1nc(Cl)nc(Sc2ncc[nH]2)n1
InChIInChI=1S/C7H6ClN5S/c1-4-11-5(8)13-7(12-4)14-6-9-2-3-10-6/h2-3H,1H3,(H,9,10)
InChIKeyKRGWNKIFEOJRTN-UHFFFAOYSA-N
XLogP1.71
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.68
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(methylsulfanyl)-1H-imidazole
CID 134652
Diimidazolyl sulfide
CID 12637930
1H,1'H-2,2'-disulfanediyl-bis-imidazole
CID 15592785
Imidazolyl dithiocarbamate
CID 129815677
2-(fluoromethylsulfanyl)-1H-imidazole
CID 153814800
2-(Methylsulfanyl)-1H-imidazole--hydrogen iodide (1/1)
CID 12503266
Thiocyanic acid,1h-imidazol-2-yl ester
CID 55286128
Imidazolyl vinyl sulfide
CID 101639539
Imidazolylthio-guanidine
CID 129702094
2-(Methylthio)-1H-imidazolium bromide
CID 44154076
2-Methylthioimidazole monohydrochloride
CID 18694136
6-(1H-imidazol-2-yl)-1,3,5-triazine-2,4-diamine
CID 22149943

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine (CID 164655152) is 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine is Cc1nc(Cl)nc(Sc2ncc[nH]2)n1.
What is the InChIKey of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine?
The InChIKey is KRGWNKIFEOJRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN5S/c1-4-11-5(8)13-7(12-4)14-6-9-2-3-10-6/h2-3H,1H3,(H,9,10).
What are the key properties of 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine?
2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine has a molecular weight of 227.68 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(1H-imidazol-2-ylsulfanyl)-6-methyl-1,3,5-triazine is sourced from PubChem (CID 164655152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).