(2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride

C11H11ClO2S2 — CID 84714016

IUPAC(2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride
SMILESCc1sc2cc(CS(=O)(=O)Cl)ccc2c1C
InChIInChI=1S/C11H11ClO2S2/c1-7-8(2)15-11-5-9(3-4-10(7)11)6-16(12,13)14/h3-5H,6H2,1-2H3
InChIKeyXPFFCBJIFCQDOV-UHFFFAOYSA-N
MW274.79 g/mol
LogP3.59
Rot. Bonds2

About (2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride

(2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride (PubChem CID 84714016) has the molecular formula C11H11ClO2S2 and a molecular weight of 274.79 g/mol. Its IUPAC name is (2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride
PubChem CID84714016
Molecular FormulaC11H11ClO2S2
Molecular Weight274.79 g/mol
Exact Mass273.99
IUPAC Name(2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride
SMILESCc1sc2cc(CS(=O)(=O)Cl)ccc2c1C
InChIInChI=1S/C11H11ClO2S2/c1-7-8(2)15-11-5-9(3-4-10(7)11)6-16(12,13)14/h3-5H,6H2,1-2H3
InChIKeyXPFFCBJIFCQDOV-UHFFFAOYSA-N
XLogP3.59
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.79
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dimethyl-1-benzothiophen-6-yl)acetic acid
CID 600423
1-(2,3-dimethyl-1-benzothiophen-6-yl)propan-2-amine
CID 117313447
(3,4-diethylphenyl)methanesulfonyl chloride
CID 117369333
6-(chloromethyl)-3-methyl-1-benzothiophen-2-ol
CID 130971138
(4-fluoro-3-methylphenyl)methanesulfonyl chloride
CID 62119949
(4-hydroxy-3-methylphenyl)methanesulfonyl chloride
CID 117315045
(3-amino-4-methylphenyl)methanesulfonyl chloride
CID 117117261
[3-(chlorosulfonylmethyl)phenyl]methanesulfonyl chloride
CID 18676560
(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
1-benzothiophen-5-ylmethanesulfonyl chloride
CID 11322580
5-(chlorosulfonylmethyl)-2-methylbenzoic acid
CID 117374912
(2-methyl-1-benzofuran-6-yl)methanesulfonyl chloride
CID 84704683

Frequently Asked Questions

What is the IUPAC name of (2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride?
The IUPAC name of (2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride (CID 84714016) is (2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride.
What is the SMILES notation for (2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride?
The canonical SMILES for (2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride is Cc1sc2cc(CS(=O)(=O)Cl)ccc2c1C.
What is the InChIKey of (2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride?
The InChIKey is XPFFCBJIFCQDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClO2S2/c1-7-8(2)15-11-5-9(3-4-10(7)11)6-16(12,13)14/h3-5H,6H2,1-2H3.
What are the key properties of (2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride?
(2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride has a molecular weight of 274.79 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethyl-1-benzothiophen-6-yl)methanesulfonyl chloride is sourced from PubChem (CID 84714016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).