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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Related Compounds

3-bromo-2-chloro-5-methylthiophene
CID 20732074
2-chloro-5-methylthiophene-3-carbaldehyde
CID 83480225
(1S)-1-(5-chloro-4-methylthiophen-2-yl)ethanol
CID 102765292
2-chloro-5-methylthiophene-3-carbonyl chloride
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2,5-dimethylthieno[3,2-b]thiophene;ethane
CID 144533203
3-chloro-2,5-dimethylthiophene
CID 14900750
5-(5-chloro-4-methylthiophen-2-yl)benzene-1,3-diamine
CID 102765138
2-chloro-5-methylthiophene-3-sulfinate
CID 174585904
5-chloro-4-methylthiophene-2-sulfonic acid
CID 89170993
1-(5-chloro-4-methylthiophen-2-yl)-2-methylpropan-1-ol
CID 102764468
2-(5-chloro-4-methylthiophen-2-yl)acetonitrile
CID 22095125
(5-chloro-4-methylthiophen-2-yl)-(5-methylthiophen-2-yl)methanone
CID 102762940

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).