chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane

C8H5Cl3N2O2S — CID 57103382

IUPACchloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane
SMILESO=S(O)(Cl)=c1c(Cl)nc2ccccc2n1Cl
InChIInChI=1S/C8H5Cl3N2O2S/c9-7-8(16(11,14)15)13(10)6-4-2-1-3-5(6)12-7/h1-4H,(H,14,15)
InChIKeyUUVKRNLODMOYBJ-UHFFFAOYSA-N
MW299.57 g/mol
LogP3.13
Rot. Bonds

About chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane

chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane (PubChem CID 57103382) has the molecular formula C8H5Cl3N2O2S and a molecular weight of 299.57 g/mol. Its IUPAC name is chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane.

Molecular Properties

Compound Namechloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane
PubChem CID57103382
Molecular FormulaC8H5Cl3N2O2S
Molecular Weight299.57 g/mol
Exact Mass297.91
IUPAC Namechloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane
SMILESO=S(O)(Cl)=c1c(Cl)nc2ccccc2n1Cl
InChIInChI=1S/C8H5Cl3N2O2S/c9-7-8(16(11,14)15)13(10)6-4-2-1-3-5(6)12-7/h1-4H,(H,14,15)
InChIKeyUUVKRNLODMOYBJ-UHFFFAOYSA-N
XLogP3.13
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.57
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-sulfanylbenzimidazole-2-sulfonic acid
CID 87241928
4-[1-(4-chlorobenzoyl)benzimidazol-2-yl]benzenesulfonic acid
CID 50907932
CID 87562109
CID 87562109
1-phenylbenzimidazole-2-sulfonic acid
CID 2772410
(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
CID 1088433
3-chloro-1-(2-hydroxyethyl)quinoxalin-2-one;ethane
CID 143080552
1,4-dichloroimidazo[1,5-a]quinoxaline
CID 56616172
1-hydroxybenzotriazole;methanesulfonic acid
CID 23179795
(4-chlorophenyl)-[2-(4-chlorophenyl)benzimidazol-1-yl]methanone
CID 21177132
(2-chlorophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791264
2-(2-chlorobenzimidazol-1-yl)-N,N-di(propan-2-yl)acetamide
CID 1448986
2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide
CID 68697794

Frequently Asked Questions

What is the IUPAC name of chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane?
The IUPAC name of chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane (CID 57103382) is chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane.
What is the SMILES notation for chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane?
The canonical SMILES for chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane is O=S(O)(Cl)=c1c(Cl)nc2ccccc2n1Cl.
What is the InChIKey of chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane?
The InChIKey is UUVKRNLODMOYBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Cl3N2O2S/c9-7-8(16(11,14)15)13(10)6-4-2-1-3-5(6)12-7/h1-4H,(H,14,15).
What are the key properties of chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane?
chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane has a molecular weight of 299.57 g/mol, XLogP of 3.13, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-(1,3-dichloroquinoxalin-2-ylidene)-hydroxy-oxo-λ6-sulfane is sourced from PubChem (CID 57103382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).