5-chloro-4-methylthiophene-2-sulfonyl chloride

C5H4Cl2O2S2 — CID 20649081

IUPAC5-chloro-4-methylthiophene-2-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)sc1Cl
InChIInChI=1S/C5H4Cl2O2S2/c1-3-2-4(10-5(3)6)11(7,8)9/h2H,1H3
InChIKeyDSTGCHNMTLFDBN-UHFFFAOYSA-N
MW231.12 g/mol
LogP2.64
Rot. Bonds1

About 5-chloro-4-methylthiophene-2-sulfonyl chloride

5-chloro-4-methylthiophene-2-sulfonyl chloride (PubChem CID 20649081) has the molecular formula C5H4Cl2O2S2 and a molecular weight of 231.12 g/mol. Its IUPAC name is 5-chloro-4-methylthiophene-2-sulfonyl chloride.

Molecular Properties

Compound Name5-chloro-4-methylthiophene-2-sulfonyl chloride
PubChem CID20649081
Molecular FormulaC5H4Cl2O2S2
Molecular Weight231.12 g/mol
Exact Mass229.90
IUPAC Name5-chloro-4-methylthiophene-2-sulfonyl chloride
SMILESCc1cc(S(=O)(=O)Cl)sc1Cl
InChIInChI=1S/C5H4Cl2O2S2/c1-3-2-4(10-5(3)6)11(7,8)9/h2H,1H3
InChIKeyDSTGCHNMTLFDBN-UHFFFAOYSA-N
XLogP2.64
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.12
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methylthiophene-2-sulfonyl chloride?
The IUPAC name of 5-chloro-4-methylthiophene-2-sulfonyl chloride (CID 20649081) is 5-chloro-4-methylthiophene-2-sulfonyl chloride.
What is the SMILES notation for 5-chloro-4-methylthiophene-2-sulfonyl chloride?
The canonical SMILES for 5-chloro-4-methylthiophene-2-sulfonyl chloride is Cc1cc(S(=O)(=O)Cl)sc1Cl.
What is the InChIKey of 5-chloro-4-methylthiophene-2-sulfonyl chloride?
The InChIKey is DSTGCHNMTLFDBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Cl2O2S2/c1-3-2-4(10-5(3)6)11(7,8)9/h2H,1H3.
What are the key properties of 5-chloro-4-methylthiophene-2-sulfonyl chloride?
5-chloro-4-methylthiophene-2-sulfonyl chloride has a molecular weight of 231.12 g/mol, XLogP of 2.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methylthiophene-2-sulfonyl chloride is sourced from PubChem (CID 20649081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).