(3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone

C9H9ClOS2 — CID 115825950

IUPAC(3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone
SMILESO=C(c1sccc1Cl)C1CCSC1
InChIInChI=1S/C9H9ClOS2/c10-7-2-4-13-9(7)8(11)6-1-3-12-5-6/h2,4,6H,1,3,5H2
InChIKeySJIPSFWGSGDALX-UHFFFAOYSA-N
MW232.76 g/mol
LogP3.34
Rot. Bonds2

About (3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone

(3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone (PubChem CID 115825950) has the molecular formula C9H9ClOS2 and a molecular weight of 232.76 g/mol. Its IUPAC name is (3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone.

Molecular Properties

Compound Name(3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone
PubChem CID115825950
Molecular FormulaC9H9ClOS2
Molecular Weight232.76 g/mol
Exact Mass231.98
IUPAC Name(3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone
SMILESO=C(c1sccc1Cl)C1CCSC1
InChIInChI=1S/C9H9ClOS2/c10-7-2-4-13-9(7)8(11)6-1-3-12-5-6/h2,4,6H,1,3,5H2
InChIKeySJIPSFWGSGDALX-UHFFFAOYSA-N
XLogP3.34
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.76
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-chlorothiophen-2-yl)-cyclopentylmethanone
CID 80530065
(3-methoxythiophen-2-yl)-(thiolan-3-yl)methanone
CID 114286702
(3-chlorothiophen-2-yl)-(1,4-dithian-2-yl)methanone
CID 107359400
4-(3-chlorothiophene-2-carbonyl)piperidine-1-carboxylic acid
CID 123401264
(3-chlorothiophen-2-yl)-(4-methylthiomorpholin-3-yl)methanone
CID 107359505
2-(3-chlorothiophene-2-carbonyl)cyclopropane-1-carboxylic acid
CID 22939230
(3-chlorothiophen-2-yl)-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 80530092
(3-chlorothiophen-2-yl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanone
CID 115784618
(3-chlorothiophen-2-yl)-(2,2-dimethylcyclopentyl)methanone
CID 107176625
(3-amino-2-bicyclo[2.2.1]heptanyl)-(3-chlorothiophen-2-yl)methanone
CID 107361466
pyridin-2-yl-[(3S)-thiolan-3-yl]methanone
CID 99934837
pyrazin-2-yl(thiolan-3-yl)methanone
CID 105101277

Frequently Asked Questions

What is the IUPAC name of (3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone?
The IUPAC name of (3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone (CID 115825950) is (3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone.
What is the SMILES notation for (3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone?
The canonical SMILES for (3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone is O=C(c1sccc1Cl)C1CCSC1.
What is the InChIKey of (3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone?
The InChIKey is SJIPSFWGSGDALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClOS2/c10-7-2-4-13-9(7)8(11)6-1-3-12-5-6/h2,4,6H,1,3,5H2.
What are the key properties of (3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone?
(3-chlorothiophen-2-yl)-(thiolan-3-yl)methanone has a molecular weight of 232.76 g/mol, XLogP of 3.34, 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)-(thiolan-3-yl)methanone is sourced from PubChem (CID 115825950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).