(2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride

C10H11ClO2S2 — CID 84710918

IUPAC(2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride
SMILESCC1Cc2c(CS(=O)(=O)Cl)cccc2S1
InChIInChI=1S/C10H11ClO2S2/c1-7-5-9-8(6-15(11,12)13)3-2-4-10(9)14-7/h2-4,7H,5-6H2,1H3
InChIKeyMUFNMVSXFOPKGY-UHFFFAOYSA-N
MW262.78 g/mol
LogP2.79
Rot. Bonds2

About (2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride

(2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride (PubChem CID 84710918) has the molecular formula C10H11ClO2S2 and a molecular weight of 262.78 g/mol. Its IUPAC name is (2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride
PubChem CID84710918
Molecular FormulaC10H11ClO2S2
Molecular Weight262.78 g/mol
Exact Mass261.99
IUPAC Name(2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride
SMILESCC1Cc2c(CS(=O)(=O)Cl)cccc2S1
InChIInChI=1S/C10H11ClO2S2/c1-7-5-9-8(6-15(11,12)13)3-2-4-10(9)14-7/h2-4,7H,5-6H2,1H3
InChIKeyMUFNMVSXFOPKGY-UHFFFAOYSA-N
XLogP2.79
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Benzothiophene 1,1-dioxide
CID 69997
Dibenzothiophene sulfone
CID 13908
Benzo(b)thiophene 1,1-dioxide, 3-methyl-
CID 138741
2,3-Dihydro-1lambda6-benzothiophene-1,1-dione
CID 284423
1,3-Dihydro-2lambda6-benzothiophene-2,2-dione
CID 313675
(+)-2,3-Dihydro-2-methylbenzo(B)thiophene-1,1-dioxide
CID 4252604
2-Methyl-1-benzothiophene 1,1-dioxide
CID 138693
2,3-Dimethylbenzenesulfonyl chloride
CID 12548721
Stk370113
CID 3797419
3-Methylbenzo[b]thiophene 1-oxide
CID 5463257
Benzene, dimethyl[(methylphenyl)sulfonyl]-
CID 169028
Dixylyl Sulfone
CID 15741776

Frequently Asked Questions

What is the IUPAC name of (2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride?
The IUPAC name of (2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride (CID 84710918) is (2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride?
The canonical SMILES for (2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride is CC1Cc2c(CS(=O)(=O)Cl)cccc2S1.
What is the InChIKey of (2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride?
The InChIKey is MUFNMVSXFOPKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO2S2/c1-7-5-9-8(6-15(11,12)13)3-2-4-10(9)14-7/h2-4,7H,5-6H2,1H3.
What are the key properties of (2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride?
(2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride has a molecular weight of 262.78 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-2,3-dihydro-1-benzothiophen-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 84710918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).