2-(2-chloroethylsulfanyl)quinoxaline

C10H9ClN2S — CID 62359861

IUPAC2-(2-chloroethylsulfanyl)quinoxaline
SMILESClCCSc1cnc2ccccc2n1
InChIInChI=1S/C10H9ClN2S/c11-5-6-14-10-7-12-8-3-1-2-4-9(8)13-10/h1-4,7H,5-6H2
InChIKeyRIMIYGZXVNETTG-UHFFFAOYSA-N
MW224.72 g/mol
LogP2.96
Rot. Bonds3

About 2-(2-chloroethylsulfanyl)quinoxaline

2-(2-chloroethylsulfanyl)quinoxaline (PubChem CID 62359861) has the molecular formula C10H9ClN2S and a molecular weight of 224.72 g/mol. Its IUPAC name is 2-(2-chloroethylsulfanyl)quinoxaline.

Molecular Properties

Compound Name2-(2-chloroethylsulfanyl)quinoxaline
PubChem CID62359861
Molecular FormulaC10H9ClN2S
Molecular Weight224.72 g/mol
Exact Mass224.02
IUPAC Name2-(2-chloroethylsulfanyl)quinoxaline
SMILESClCCSc1cnc2ccccc2n1
InChIInChI=1S/C10H9ClN2S/c11-5-6-14-10-7-12-8-3-1-2-4-9(8)13-10/h1-4,7H,5-6H2
InChIKeyRIMIYGZXVNETTG-UHFFFAOYSA-N
XLogP2.96
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.72
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylquinoxaline
CID 23686
2-(Quinoxalin-2-ylsulfanyl)acetic acid
CID 736252
2-(2-Thienyl)quinoxaline
CID 251141
2-Chloroquinoxaline
CID 238938
2-(Phenylsulfanyl)quinoxaline
CID 5100142
2-[(4-Chlorophenyl)sulfanyl]quinoxaline
CID 1480425
2-[(4-Methylphenyl)sulfanyl]quinoxaline
CID 3393241
N,N-dimethyl-2-(2-quinoxalinylsulfanyl)acetamide
CID 3749686
2-[(4-Bromophenyl)sulfanyl]quinoxaline
CID 3749824
2-[(2-Chlorophenyl)sulfanyl]quinoxaline
CID 3740927
2-(Methylsulfonyl)quinoxaline
CID 85363
2-(2-Quinoxalinylsulfanyl)propanoic acid
CID 4312795

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfanyl)quinoxaline?
The IUPAC name of 2-(2-chloroethylsulfanyl)quinoxaline (CID 62359861) is 2-(2-chloroethylsulfanyl)quinoxaline.
What is the SMILES notation for 2-(2-chloroethylsulfanyl)quinoxaline?
The canonical SMILES for 2-(2-chloroethylsulfanyl)quinoxaline is ClCCSc1cnc2ccccc2n1.
What is the InChIKey of 2-(2-chloroethylsulfanyl)quinoxaline?
The InChIKey is RIMIYGZXVNETTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2S/c11-5-6-14-10-7-12-8-3-1-2-4-9(8)13-10/h1-4,7H,5-6H2.
What are the key properties of 2-(2-chloroethylsulfanyl)quinoxaline?
2-(2-chloroethylsulfanyl)quinoxaline has a molecular weight of 224.72 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfanyl)quinoxaline is sourced from PubChem (CID 62359861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).