(5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone

C10H7ClOS2 — CID 43463073

IUPAC(5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H7ClOS2/c1-6-4-5-13-10(6)9(12)7-2-3-8(11)14-7/h2-5H,1H3
InChIKeyQXSKKTJSCJJRBV-UHFFFAOYSA-N
MW242.75 g/mol
LogP4.00
Rot. Bonds2

About (5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone

(5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone (PubChem CID 43463073) has the molecular formula C10H7ClOS2 and a molecular weight of 242.75 g/mol. Its IUPAC name is (5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name(5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone
PubChem CID43463073
Molecular FormulaC10H7ClOS2
Molecular Weight242.75 g/mol
Exact Mass241.96
IUPAC Name(5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone
SMILESCc1ccsc1C(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H7ClOS2/c1-6-4-5-13-10(6)9(12)7-2-3-8(11)14-7/h2-5H,1H3
InChIKeyQXSKKTJSCJJRBV-UHFFFAOYSA-N
XLogP4.00
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.75
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone?
The IUPAC name of (5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone (CID 43463073) is (5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone.
What is the SMILES notation for (5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone?
The canonical SMILES for (5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone is Cc1ccsc1C(=O)c1ccc(Cl)s1.
What is the InChIKey of (5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone?
The InChIKey is QXSKKTJSCJJRBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClOS2/c1-6-4-5-13-10(6)9(12)7-2-3-8(11)14-7/h2-5H,1H3.
What are the key properties of (5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone?
(5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone has a molecular weight of 242.75 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorothiophen-2-yl)-(3-methylthiophen-2-yl)methanone is sourced from PubChem (CID 43463073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).