2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride

C9H9ClO2S2 — CID 84706770

IUPAC2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc2c1SCC2
InChIInChI=1S/C9H9ClO2S2/c10-14(11,12)6-8-3-1-2-7-4-5-13-9(7)8/h1-3H,4-6H2
InChIKeyJRWCBYJEIKLASV-UHFFFAOYSA-N
MW248.76 g/mol
LogP2.40
Rot. Bonds2

About 2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride

2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride (PubChem CID 84706770) has the molecular formula C9H9ClO2S2 and a molecular weight of 248.76 g/mol. Its IUPAC name is 2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride.

Molecular Properties

Compound Name2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride
PubChem CID84706770
Molecular FormulaC9H9ClO2S2
Molecular Weight248.76 g/mol
Exact Mass247.97
IUPAC Name2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc2c1SCC2
InChIInChI=1S/C9H9ClO2S2/c10-14(11,12)6-8-3-1-2-7-4-5-13-9(7)8/h1-3H,4-6H2
InChIKeyJRWCBYJEIKLASV-UHFFFAOYSA-N
XLogP2.40
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.76
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride?
The IUPAC name of 2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride (CID 84706770) is 2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride.
What is the SMILES notation for 2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride?
The canonical SMILES for 2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1cccc2c1SCC2.
What is the InChIKey of 2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride?
The InChIKey is JRWCBYJEIKLASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClO2S2/c10-14(11,12)6-8-3-1-2-7-4-5-13-9(7)8/h1-3H,4-6H2.
What are the key properties of 2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride?
2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride has a molecular weight of 248.76 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1-benzothiophen-7-ylmethanesulfonyl chloride is sourced from PubChem (CID 84706770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).