(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone

C10H6Cl2OS2 — CID 107967869

IUPAC(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H6Cl2OS2/c1-5-6(2-3-14-5)9(13)7-4-8(11)15-10(7)12/h2-4H,1H3
InChIKeyJDSVBYZTJDYUBA-UHFFFAOYSA-N
MW277.20 g/mol
LogP4.66
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone

(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone (PubChem CID 107967869) has the molecular formula C10H6Cl2OS2 and a molecular weight of 277.20 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
PubChem CID107967869
Molecular FormulaC10H6Cl2OS2
Molecular Weight277.20 g/mol
Exact Mass275.92
IUPAC Name(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone
SMILESCc1sccc1C(=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C10H6Cl2OS2/c1-5-6(2-3-14-5)9(13)7-4-8(11)15-10(7)12/h2-4H,1H3
InChIKeyJDSVBYZTJDYUBA-UHFFFAOYSA-N
XLogP4.66
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.20
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone (CID 107967869) is (2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone is Cc1sccc1C(=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone?
The InChIKey is JDSVBYZTJDYUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2OS2/c1-5-6(2-3-14-5)9(13)7-4-8(11)15-10(7)12/h2-4H,1H3.
What are the key properties of (2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone?
(2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone has a molecular weight of 277.20 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-(2-methylthiophen-3-yl)methanone is sourced from PubChem (CID 107967869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).