(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone

C9H5ClOS2 — CID 80529755

IUPAC(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1sccc1Cl
InChIInChI=1S/C9H5ClOS2/c10-6-3-5-13-9(6)8(11)7-2-1-4-12-7/h1-5H
InChIKeyHMAAKLUKAVEHQC-UHFFFAOYSA-N
MW228.73 g/mol
LogP3.69
Rot. Bonds2

About (3-chlorothiophen-2-yl)-thiophen-2-ylmethanone

(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone (PubChem CID 80529755) has the molecular formula C9H5ClOS2 and a molecular weight of 228.73 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
PubChem CID80529755
Molecular FormulaC9H5ClOS2
Molecular Weight228.73 g/mol
Exact Mass227.95
IUPAC Name(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1sccc1Cl
InChIInChI=1S/C9H5ClOS2/c10-6-3-5-13-9(6)8(11)7-2-1-4-12-7/h1-5H
InChIKeyHMAAKLUKAVEHQC-UHFFFAOYSA-N
XLogP3.69
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.73
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
(3-chlorothiophen-2-yl)-pyrimidin-2-ylmethanone
CID 107359322
(5-bromo-4-methylthiophen-2-yl)-(3-chlorothiophen-2-yl)methanone
CID 80530149
(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone
CID 103443291
(5-amino-2-chlorophenyl)-thiophen-2-ylmethanone
CID 54011537
(3-chloro-2-pyridinyl)-(3-chlorothiophen-2-yl)methanone
CID 107359480
(3-chlorothiophen-2-yl)-(2,6-dimethoxyphenyl)methanone
CID 80530097
(3-chlorothiophen-2-yl)-(3-iodophenyl)methanone
CID 80529870
(3-aminophenyl)-(3-chlorothiophen-2-yl)methanone
CID 80531807
3-(3-chlorothiophen-2-yl)-3-oxo-2-thiophen-2-ylpropanenitrile
CID 80644592
(3-chloro-4-iodophenyl)-(3-chlorothiophen-2-yl)methanone
CID 103219782
(3-chlorothiophen-2-yl)-(5-methylthiophen-3-yl)methanone
CID 114976007

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-thiophen-2-ylmethanone?
The IUPAC name of (3-chlorothiophen-2-yl)-thiophen-2-ylmethanone (CID 80529755) is (3-chlorothiophen-2-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1sccc1Cl.
What is the InChIKey of (3-chlorothiophen-2-yl)-thiophen-2-ylmethanone?
The InChIKey is HMAAKLUKAVEHQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClOS2/c10-6-3-5-13-9(6)8(11)7-2-1-4-12-7/h1-5H.
What are the key properties of (3-chlorothiophen-2-yl)-thiophen-2-ylmethanone?
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone has a molecular weight of 228.73 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chlorothiophen-2-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 80529755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).