2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran

C10H8BrClOS2 — CID 165485688

IUPAC2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran
SMILESClc1ccc(CSCc2cc(Br)cs2)o1
InChIInChI=1S/C10H8BrClOS2/c11-7-3-9(15-4-7)6-14-5-8-1-2-10(12)13-8/h1-4H,5-6H2
InChIKeyUQEAWEKRJWNWNQ-UHFFFAOYSA-N
MW323.66 g/mol
LogP5.19
Rot. Bonds4

About 2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran

2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran (PubChem CID 165485688) has the molecular formula C10H8BrClOS2 and a molecular weight of 323.66 g/mol. Its IUPAC name is 2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran.

Molecular Properties

Compound Name2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran
PubChem CID165485688
Molecular FormulaC10H8BrClOS2
Molecular Weight323.66 g/mol
Exact Mass321.89
IUPAC Name2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran
SMILESClc1ccc(CSCc2cc(Br)cs2)o1
InChIInChI=1S/C10H8BrClOS2/c11-7-3-9(15-4-7)6-14-5-8-1-2-10(12)13-8/h1-4H,5-6H2
InChIKeyUQEAWEKRJWNWNQ-UHFFFAOYSA-N
XLogP5.19
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.66
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran?
The IUPAC name of 2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran (CID 165485688) is 2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran.
What is the SMILES notation for 2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran?
The canonical SMILES for 2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran is Clc1ccc(CSCc2cc(Br)cs2)o1.
What is the InChIKey of 2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran?
The InChIKey is UQEAWEKRJWNWNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClOS2/c11-7-3-9(15-4-7)6-14-5-8-1-2-10(12)13-8/h1-4H,5-6H2.
What are the key properties of 2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran?
2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran has a molecular weight of 323.66 g/mol, XLogP of 5.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromothiophen-2-yl)methylsulfanylmethyl]-5-chlorofuran is sourced from PubChem (CID 165485688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).