2-chloro-3,5-dimethylthiophene;ethane

C10H19ClS — CID 142092125

IUPAC2-chloro-3,5-dimethylthiophene;ethane
SMILESCC.CC.Cc1cc(C)c(Cl)s1
InChIInChI=1S/C6H7ClS.2C2H6/c1-4-3-5(2)8-6(4)7;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyUVLHSRPYCGMPKL-UHFFFAOYSA-N
MW206.78 g/mol
LogP5.07
Rot. Bonds

About 2-chloro-3,5-dimethylthiophene;ethane

2-chloro-3,5-dimethylthiophene;ethane (PubChem CID 142092125) has the molecular formula C10H19ClS and a molecular weight of 206.78 g/mol. Its IUPAC name is 2-chloro-3,5-dimethylthiophene;ethane.

Molecular Properties

Compound Name2-chloro-3,5-dimethylthiophene;ethane
PubChem CID142092125
Molecular FormulaC10H19ClS
Molecular Weight206.78 g/mol
Exact Mass206.09
IUPAC Name2-chloro-3,5-dimethylthiophene;ethane
SMILESCC.CC.Cc1cc(C)c(Cl)s1
InChIInChI=1S/C6H7ClS.2C2H6/c1-4-3-5(2)8-6(4)7;2*1-2/h3H,1-2H3;2*1-2H3
InChIKeyUVLHSRPYCGMPKL-UHFFFAOYSA-N
XLogP5.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500206.78
LogP ≤ 55.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3,5-dimethylthiophene;ethane?
The IUPAC name of 2-chloro-3,5-dimethylthiophene;ethane (CID 142092125) is 2-chloro-3,5-dimethylthiophene;ethane.
What is the SMILES notation for 2-chloro-3,5-dimethylthiophene;ethane?
The canonical SMILES for 2-chloro-3,5-dimethylthiophene;ethane is CC.CC.Cc1cc(C)c(Cl)s1.
What is the InChIKey of 2-chloro-3,5-dimethylthiophene;ethane?
The InChIKey is UVLHSRPYCGMPKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7ClS.2C2H6/c1-4-3-5(2)8-6(4)7;2*1-2/h3H,1-2H3;2*1-2H3.
What are the key properties of 2-chloro-3,5-dimethylthiophene;ethane?
2-chloro-3,5-dimethylthiophene;ethane has a molecular weight of 206.78 g/mol, XLogP of 5.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3,5-dimethylthiophene;ethane is sourced from PubChem (CID 142092125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).