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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 4661320Generated: October 23, 2026

2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione

2-(hydroxymethyl)benzo[b]thiophene 1,1-dioxide · Benzothiophene sulfone-2-methanol 97 · Benzothiophene sulfone-2-methanol 97% · (1,1-dioxo-1-benzothiophen-2-yl)methanol · Benzo[b]thiophene-2-Methanol 1,1-dioxide

https://huagongshe.com/en/chemical/4661320

2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione molecular structure

Identifiers & Physical Properties

CAS No.134996-50-2
Molecular formulaC9H8O3S
Average molar mass196.22 g/mol
Monoisotopic mass196.01941512 g/mol
SMILESO=S1(=O)C(CO)=Cc2ccccc21
InChIKeyGMPSGLSPNPTTHT-UHFFFAOYSA-N
PubChem CID4661320
DTXSIDDTXSID10405340

Chemical & Physical Properties

XLogP1
Topological polar surface area62.8
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds1
Heavy atoms13
Formal charge0
Complexity323
Melting point113-117 °C (lit.)
Boiling point462.3±37.0 °C(Predicted)
Density1.453±0.06 g/cm3(Predicted)
pKa (acidity coefficient)13.27±0.10(Predicted)
Physical statesolid
InChI1S/C9H8O3S/c10-6-8-5-7-3-1-2-4-9(7)13(8,11)12/h1-5,10H,6H2
InChIKeyGMPSGLSPNPTTHT-UHFFFAOYSA-N
SMILESOCC1=Cc2ccccc2S1(=O)=O
UNSPSC Code12352100
Personal protective equipment (PPE)Eyeshields, Gloves, type N95 (US)
Water hazard class (WGK)3
Storage class13 - Non Combustible Solids

Safety & Regulations

Personal protective equipment (PPE)Eyeshields, Gloves, type N95 (US)
Water hazard class (WGK)3
Storage class13 - Non Combustible Solids
2-(Hydroxymethyl)-1H-1-benzothiophene-1,1-dione｜Huagongshe