5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene

C15H16Cl2S2 — CID 164967518

IUPAC5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene
SMILESCc1sc(Cl)cc1C1=C(C2C=C(Cl)SC2C)CCC1
InChIInChI=1S/C15H16Cl2S2/c1-8-12(6-14(16)18-8)10-4-3-5-11(10)13-7-15(17)19-9(13)2/h6-8,12H,3-5H2,1-2H3
InChIKeyCRCSJTMKXKSLKS-UHFFFAOYSA-N
MW331.33 g/mol
LogP6.48
Rot. Bonds2

About 5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene

5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene (PubChem CID 164967518) has the molecular formula C15H16Cl2S2 and a molecular weight of 331.33 g/mol. Its IUPAC name is 5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene.

Molecular Properties

Compound Name5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene
PubChem CID164967518
Molecular FormulaC15H16Cl2S2
Molecular Weight331.33 g/mol
Exact Mass330.01
IUPAC Name5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene
SMILESCc1sc(Cl)cc1C1=C(C2C=C(Cl)SC2C)CCC1
InChIInChI=1S/C15H16Cl2S2/c1-8-12(6-14(16)18-8)10-4-3-5-11(10)13-7-15(17)19-9(13)2/h6-8,12H,3-5H2,1-2H3
InChIKeyCRCSJTMKXKSLKS-UHFFFAOYSA-N
XLogP6.48
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500331.33
LogP ≤ 56.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene?
The IUPAC name of 5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene (CID 164967518) is 5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene.
What is the SMILES notation for 5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene?
The canonical SMILES for 5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene is Cc1sc(Cl)cc1C1=C(C2C=C(Cl)SC2C)CCC1.
What is the InChIKey of 5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene?
The InChIKey is CRCSJTMKXKSLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2S2/c1-8-12(6-14(16)18-8)10-4-3-5-11(10)13-7-15(17)19-9(13)2/h6-8,12H,3-5H2,1-2H3.
What are the key properties of 5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene?
5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene has a molecular weight of 331.33 g/mol, XLogP of 6.48, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-[2-(5-chloro-2-methyl-2,3-dihydrothiophen-3-yl)cyclopenten-1-yl]-2-methylthiophene is sourced from PubChem (CID 164967518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).