2-[(2,3-dichlorophenyl)sulfanylmethyl]furan

C11H8Cl2OS — CID 173213846

IUPAC2-[(2,3-dichlorophenyl)sulfanylmethyl]furan
SMILESClc1cccc(SCc2ccco2)c1Cl
InChIInChI=1S/C11H8Cl2OS/c12-9-4-1-5-10(11(9)13)15-7-8-3-2-6-14-8/h1-6H,7H2
InChIKeyGJWGDBNBIOTAKS-UHFFFAOYSA-N
MW259.16 g/mol
LogP4.88
Rot. Bonds3

About 2-[(2,3-dichlorophenyl)sulfanylmethyl]furan

2-[(2,3-dichlorophenyl)sulfanylmethyl]furan (PubChem CID 173213846) has the molecular formula C11H8Cl2OS and a molecular weight of 259.16 g/mol. Its IUPAC name is 2-[(2,3-dichlorophenyl)sulfanylmethyl]furan.

Molecular Properties

Compound Name2-[(2,3-dichlorophenyl)sulfanylmethyl]furan
PubChem CID173213846
Molecular FormulaC11H8Cl2OS
Molecular Weight259.16 g/mol
Exact Mass257.97
IUPAC Name2-[(2,3-dichlorophenyl)sulfanylmethyl]furan
SMILESClc1cccc(SCc2ccco2)c1Cl
InChIInChI=1S/C11H8Cl2OS/c12-9-4-1-5-10(11(9)13)15-7-8-3-2-6-14-8/h1-6H,7H2
InChIKeyGJWGDBNBIOTAKS-UHFFFAOYSA-N
XLogP4.88
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 63803722
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1-[2-(furan-2-ylmethylsulfanyl)phenyl]ethanol
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CID 63814189
5-chloro-6-(furan-2-ylmethylsulfanyl)-1H-indole-2,3-dione
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1-[2-(furan-2-ylmethylsulfanyl)phenyl]propan-1-ol
CID 112680064
2,3,5-trichloro-6-(furan-2-ylmethylsulfanyl)pyridine
CID 102752209
3-(furan-2-ylmethylsulfanyl)-4-methylaniline
CID 62588700
1-(2,3-dichlorophenyl)-3-(furan-2-ylmethylsulfanyl)-4-(4-methylphenyl)pyrrole-2,5-dione
CID 110574841
2-[(2,3-dichlorophenyl)methylamino]-N-(furan-2-ylmethyl)propanamide
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Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-dichlorophenyl)sulfanylmethyl]furan?
The IUPAC name of 2-[(2,3-dichlorophenyl)sulfanylmethyl]furan (CID 173213846) is 2-[(2,3-dichlorophenyl)sulfanylmethyl]furan.
What is the SMILES notation for 2-[(2,3-dichlorophenyl)sulfanylmethyl]furan?
The canonical SMILES for 2-[(2,3-dichlorophenyl)sulfanylmethyl]furan is Clc1cccc(SCc2ccco2)c1Cl.
What is the InChIKey of 2-[(2,3-dichlorophenyl)sulfanylmethyl]furan?
The InChIKey is GJWGDBNBIOTAKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2OS/c12-9-4-1-5-10(11(9)13)15-7-8-3-2-6-14-8/h1-6H,7H2.
What are the key properties of 2-[(2,3-dichlorophenyl)sulfanylmethyl]furan?
2-[(2,3-dichlorophenyl)sulfanylmethyl]furan has a molecular weight of 259.16 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-dichlorophenyl)sulfanylmethyl]furan is sourced from PubChem (CID 173213846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).