3-[chloro-(5-methylthiophen-2-yl)methyl]furan

C10H9ClOS — CID 61082359

IUPAC3-[chloro-(5-methylthiophen-2-yl)methyl]furan
SMILESCc1ccc(C(Cl)c2ccoc2)s1
InChIInChI=1S/C10H9ClOS/c1-7-2-3-9(13-7)10(11)8-4-5-12-6-8/h2-6,10H,1H3
InChIKeyVEDIDMVFKIXSDI-UHFFFAOYSA-N
MW212.70 g/mol
LogP3.98
Rot. Bonds2

About 3-[chloro-(5-methylthiophen-2-yl)methyl]furan

3-[chloro-(5-methylthiophen-2-yl)methyl]furan (PubChem CID 61082359) has the molecular formula C10H9ClOS and a molecular weight of 212.70 g/mol. Its IUPAC name is 3-[chloro-(5-methylthiophen-2-yl)methyl]furan.

Molecular Properties

Compound Name3-[chloro-(5-methylthiophen-2-yl)methyl]furan
PubChem CID61082359
Molecular FormulaC10H9ClOS
Molecular Weight212.70 g/mol
Exact Mass212.01
IUPAC Name3-[chloro-(5-methylthiophen-2-yl)methyl]furan
SMILESCc1ccc(C(Cl)c2ccoc2)s1
InChIInChI=1S/C10H9ClOS/c1-7-2-3-9(13-7)10(11)8-4-5-12-6-8/h2-6,10H,1H3
InChIKeyVEDIDMVFKIXSDI-UHFFFAOYSA-N
XLogP3.98
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.70
LogP ≤ 53.98
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 3-[chloro-(5-methylthiophen-2-yl)methyl]furan?
The IUPAC name of 3-[chloro-(5-methylthiophen-2-yl)methyl]furan (CID 61082359) is 3-[chloro-(5-methylthiophen-2-yl)methyl]furan.
What is the SMILES notation for 3-[chloro-(5-methylthiophen-2-yl)methyl]furan?
The canonical SMILES for 3-[chloro-(5-methylthiophen-2-yl)methyl]furan is Cc1ccc(C(Cl)c2ccoc2)s1.
What is the InChIKey of 3-[chloro-(5-methylthiophen-2-yl)methyl]furan?
The InChIKey is VEDIDMVFKIXSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClOS/c1-7-2-3-9(13-7)10(11)8-4-5-12-6-8/h2-6,10H,1H3.
What are the key properties of 3-[chloro-(5-methylthiophen-2-yl)methyl]furan?
3-[chloro-(5-methylthiophen-2-yl)methyl]furan has a molecular weight of 212.70 g/mol, XLogP of 3.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[chloro-(5-methylthiophen-2-yl)methyl]furan is sourced from PubChem (CID 61082359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).