2-chloro-3,6-dimethylthieno[3,2-b]furan

C8H7ClOS — CID 129149034

IUPAC2-chloro-3,6-dimethylthieno[3,2-b]furan
SMILESCc1csc2c(C)c(Cl)oc12
InChIInChI=1S/C8H7ClOS/c1-4-3-11-7-5(2)8(9)10-6(4)7/h3H,1-2H3
InChIKeyBFQFIZPNDYUNBB-UHFFFAOYSA-N
MW186.66 g/mol
LogP3.76
Rot. Bonds

About 2-chloro-3,6-dimethylthieno[3,2-b]furan

2-chloro-3,6-dimethylthieno[3,2-b]furan (PubChem CID 129149034) has the molecular formula C8H7ClOS and a molecular weight of 186.66 g/mol. Its IUPAC name is 2-chloro-3,6-dimethylthieno[3,2-b]furan.

Molecular Properties

Compound Name2-chloro-3,6-dimethylthieno[3,2-b]furan
PubChem CID129149034
Molecular FormulaC8H7ClOS
Molecular Weight186.66 g/mol
Exact Mass185.99
IUPAC Name2-chloro-3,6-dimethylthieno[3,2-b]furan
SMILESCc1csc2c(C)c(Cl)oc12
InChIInChI=1S/C8H7ClOS/c1-4-3-11-7-5(2)8(9)10-6(4)7/h3H,1-2H3
InChIKeyBFQFIZPNDYUNBB-UHFFFAOYSA-N
XLogP3.76
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.66
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,6-dimethylthieno[3,2-b]furan?
The IUPAC name of 2-chloro-3,6-dimethylthieno[3,2-b]furan (CID 129149034) is 2-chloro-3,6-dimethylthieno[3,2-b]furan.
What is the SMILES notation for 2-chloro-3,6-dimethylthieno[3,2-b]furan?
The canonical SMILES for 2-chloro-3,6-dimethylthieno[3,2-b]furan is Cc1csc2c(C)c(Cl)oc12.
What is the InChIKey of 2-chloro-3,6-dimethylthieno[3,2-b]furan?
The InChIKey is BFQFIZPNDYUNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClOS/c1-4-3-11-7-5(2)8(9)10-6(4)7/h3H,1-2H3.
What are the key properties of 2-chloro-3,6-dimethylthieno[3,2-b]furan?
2-chloro-3,6-dimethylthieno[3,2-b]furan has a molecular weight of 186.66 g/mol, XLogP of 3.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,6-dimethylthieno[3,2-b]furan is sourced from PubChem (CID 129149034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).