(2,5-dichlorothiophen-3-yl)-phenylmethanone

C11H6Cl2OS — CID 23434092

IUPAC(2,5-dichlorothiophen-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H6Cl2OS/c12-9-6-8(11(13)15-9)10(14)7-4-2-1-3-5-7/h1-6H
InChIKeyNYTHKVNYZJTUCT-UHFFFAOYSA-N
MW257.14 g/mol
LogP4.29
Rot. Bonds2

About (2,5-dichlorothiophen-3-yl)-phenylmethanone

(2,5-dichlorothiophen-3-yl)-phenylmethanone (PubChem CID 23434092) has the molecular formula C11H6Cl2OS and a molecular weight of 257.14 g/mol. Its IUPAC name is (2,5-dichlorothiophen-3-yl)-phenylmethanone.

Molecular Properties

Compound Name(2,5-dichlorothiophen-3-yl)-phenylmethanone
PubChem CID23434092
Molecular FormulaC11H6Cl2OS
Molecular Weight257.14 g/mol
Exact Mass255.95
IUPAC Name(2,5-dichlorothiophen-3-yl)-phenylmethanone
SMILESO=C(c1ccccc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H6Cl2OS/c12-9-6-8(11(13)15-9)10(14)7-4-2-1-3-5-7/h1-6H
InChIKeyNYTHKVNYZJTUCT-UHFFFAOYSA-N
XLogP4.29
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.14
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorothiophen-3-yl)-phenylmethanone?
The IUPAC name of (2,5-dichlorothiophen-3-yl)-phenylmethanone (CID 23434092) is (2,5-dichlorothiophen-3-yl)-phenylmethanone.
What is the SMILES notation for (2,5-dichlorothiophen-3-yl)-phenylmethanone?
The canonical SMILES for (2,5-dichlorothiophen-3-yl)-phenylmethanone is O=C(c1ccccc1)c1cc(Cl)sc1Cl.
What is the InChIKey of (2,5-dichlorothiophen-3-yl)-phenylmethanone?
The InChIKey is NYTHKVNYZJTUCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2OS/c12-9-6-8(11(13)15-9)10(14)7-4-2-1-3-5-7/h1-6H.
What are the key properties of (2,5-dichlorothiophen-3-yl)-phenylmethanone?
(2,5-dichlorothiophen-3-yl)-phenylmethanone has a molecular weight of 257.14 g/mol, XLogP of 4.29, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorothiophen-3-yl)-phenylmethanone is sourced from PubChem (CID 23434092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).