2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene

C11H10Cl2S — CID 142254689

IUPAC2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene
SMILESCc1cc(C2C=C(Cl)C=CC2)c(Cl)s1
InChIInChI=1S/C11H10Cl2S/c1-7-5-10(11(13)14-7)8-3-2-4-9(12)6-8/h2,4-6,8H,3H2,1H3
InChIKeyJJKNLBFMLNQYRW-UHFFFAOYSA-N
MW245.17 g/mol
LogP4.88
Rot. Bonds1

About 2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene

2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene (PubChem CID 142254689) has the molecular formula C11H10Cl2S and a molecular weight of 245.17 g/mol. Its IUPAC name is 2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene.

Molecular Properties

Compound Name2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene
PubChem CID142254689
Molecular FormulaC11H10Cl2S
Molecular Weight245.17 g/mol
Exact Mass243.99
IUPAC Name2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene
SMILESCc1cc(C2C=C(Cl)C=CC2)c(Cl)s1
InChIInChI=1S/C11H10Cl2S/c1-7-5-10(11(13)14-7)8-3-2-4-9(12)6-8/h2,4-6,8H,3H2,1H3
InChIKeyJJKNLBFMLNQYRW-UHFFFAOYSA-N
XLogP4.88
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.17
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene?
The IUPAC name of 2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene (CID 142254689) is 2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene.
What is the SMILES notation for 2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene?
The canonical SMILES for 2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene is Cc1cc(C2C=C(Cl)C=CC2)c(Cl)s1.
What is the InChIKey of 2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene?
The InChIKey is JJKNLBFMLNQYRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2S/c1-7-5-10(11(13)14-7)8-3-2-4-9(12)6-8/h2,4-6,8H,3H2,1H3.
What are the key properties of 2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene?
2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene has a molecular weight of 245.17 g/mol, XLogP of 4.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(3-chlorocyclohexa-2,4-dien-1-yl)-5-methylthiophene is sourced from PubChem (CID 142254689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).