Basic information
- CAS
6224-55-1- Standard SMILES
CC1=Cc2ccccc2S1(=O)=O- InChIKey
BRNMIIDEQOJZTP-UHFFFAOYSA-N- Molecular formula
- C9H8O2S
- Average molar mass
- 180.23 g/mol
- Monoisotopic mass
- 180.02450067
Names & identifiers
- Preferred name
- 2-Methyl-1-benzothiophene 1,1-dioxide
- IUPAC
- 2-methyl-1-benzothiophene 1,1-dioxide
- English name
- 2-methylbenzothiophene 1,1-dioxide
- Molecular formula
- C9H8O2S
- Molecular weight
- 180.22
Names & synonyms
6224-55-12-Methylbenzo[b]thiophene 1,1-dioxide2-Methyl-1-benzothiophene 1,1-dioxide2-METHYLBENZOTHIOPHENE 1,1-DIOXIDE2-Methylthianaphthene-1,1-dioxide2-Methylthianaphthene-1,1 dioxideBenzo[b]thiophene 1,1-dioxide,2-methyl-Benzo[b]thiophene, 2-methyl-, 1,1-dioxideBenzo[b]thiophene,2-methyl-, 1,1-dioxide2-methylbenzothiophene dioxideSCHEMBL308828SCHEMBL308829
Show more names
SCHEMBL30430615DTXSID90211289BRNMIIDEQOJZTP-UHFFFAOYSA-NAKOS0002766272-Methyl-benzo(b)thiophene-1,1-dioxide2-Methyl-benzo[b]thiophene 1,1-dioxide2-Methyl-1-benzothiophene 1,1-dioxide #CS-0077765
Database identifiers
- CAS
6224-55-1- PubChem CID
- 138693
- DTXSID
DTXSID90211289
Properties
Computed structural properties
- XLogP
- 1.7
- Topological polar surface area
- 42.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 308
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Chemistry & industry
Suppliers2 total
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…