2-(chloromethylsulfanylmethyl)furan

C6H7ClOS — CID 19896647

IUPAC2-(chloromethylsulfanylmethyl)furan
SMILESClCSCc1ccco1
InChIInChI=1S/C6H7ClOS/c7-5-9-4-6-2-1-3-8-6/h1-3H,4-5H2
InChIKeyXOZMRLCBFBFJIU-UHFFFAOYSA-N
MW162.64 g/mol
LogP2.71
Rot. Bonds3

About 2-(chloromethylsulfanylmethyl)furan

2-(chloromethylsulfanylmethyl)furan (PubChem CID 19896647) has the molecular formula C6H7ClOS and a molecular weight of 162.64 g/mol. Its IUPAC name is 2-(chloromethylsulfanylmethyl)furan.

Molecular Properties

Compound Name2-(chloromethylsulfanylmethyl)furan
PubChem CID19896647
Molecular FormulaC6H7ClOS
Molecular Weight162.64 g/mol
Exact Mass161.99
IUPAC Name2-(chloromethylsulfanylmethyl)furan
SMILESClCSCc1ccco1
InChIInChI=1S/C6H7ClOS/c7-5-9-4-6-2-1-3-8-6/h1-3H,4-5H2
InChIKeyXOZMRLCBFBFJIU-UHFFFAOYSA-N
XLogP2.71
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.64
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(chloromethylsulfanylmethyl)furan?
The IUPAC name of 2-(chloromethylsulfanylmethyl)furan (CID 19896647) is 2-(chloromethylsulfanylmethyl)furan.
What is the SMILES notation for 2-(chloromethylsulfanylmethyl)furan?
The canonical SMILES for 2-(chloromethylsulfanylmethyl)furan is ClCSCc1ccco1.
What is the InChIKey of 2-(chloromethylsulfanylmethyl)furan?
The InChIKey is XOZMRLCBFBFJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClOS/c7-5-9-4-6-2-1-3-8-6/h1-3H,4-5H2.
What are the key properties of 2-(chloromethylsulfanylmethyl)furan?
2-(chloromethylsulfanylmethyl)furan has a molecular weight of 162.64 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethylsulfanylmethyl)furan is sourced from PubChem (CID 19896647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).