2-(2-chloroethylsulfanylmethyl)furan

C7H9ClOS — CID 13415795

IUPAC2-(2-chloroethylsulfanylmethyl)furan
SMILESClCCSCc1ccco1
InChIInChI=1S/C7H9ClOS/c8-3-5-10-6-7-2-1-4-9-7/h1-2,4H,3,5-6H2
InChIKeyVYAIVQVJGKOWOR-UHFFFAOYSA-N
MW176.67 g/mol
LogP2.75
Rot. Bonds4

About 2-(2-chloroethylsulfanylmethyl)furan

2-(2-chloroethylsulfanylmethyl)furan (PubChem CID 13415795) has the molecular formula C7H9ClOS and a molecular weight of 176.67 g/mol. Its IUPAC name is 2-(2-chloroethylsulfanylmethyl)furan.

Molecular Properties

Compound Name2-(2-chloroethylsulfanylmethyl)furan
PubChem CID13415795
Molecular FormulaC7H9ClOS
Molecular Weight176.67 g/mol
Exact Mass176.01
IUPAC Name2-(2-chloroethylsulfanylmethyl)furan
SMILESClCCSCc1ccco1
InChIInChI=1S/C7H9ClOS/c8-3-5-10-6-7-2-1-4-9-7/h1-2,4H,3,5-6H2
InChIKeyVYAIVQVJGKOWOR-UHFFFAOYSA-N
XLogP2.75
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.67
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethylsulfanylmethyl)furan?
The IUPAC name of 2-(2-chloroethylsulfanylmethyl)furan (CID 13415795) is 2-(2-chloroethylsulfanylmethyl)furan.
What is the SMILES notation for 2-(2-chloroethylsulfanylmethyl)furan?
The canonical SMILES for 2-(2-chloroethylsulfanylmethyl)furan is ClCCSCc1ccco1.
What is the InChIKey of 2-(2-chloroethylsulfanylmethyl)furan?
The InChIKey is VYAIVQVJGKOWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClOS/c8-3-5-10-6-7-2-1-4-9-7/h1-2,4H,3,5-6H2.
What are the key properties of 2-(2-chloroethylsulfanylmethyl)furan?
2-(2-chloroethylsulfanylmethyl)furan has a molecular weight of 176.67 g/mol, XLogP of 2.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethylsulfanylmethyl)furan is sourced from PubChem (CID 13415795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).