Basic information
- CAS
54921-44-7- Standard SMILES
CC1(c2c[nH]c3ccccc23)SCCS1- InChIKey
TVPVFCFPZXJBGP-UHFFFAOYSA-N- Molecular formula
- C12H13NS2
- Average molar mass
- 235.4 g/mol
- Monoisotopic mass
- 235.04894177
Names & identifiers
- Preferred name
- 3-(2-Methyl-1,3-dithiolan-2-yl)-1H-indole
- IUPAC
- 3-(2-methyl-1,3-dithiolan-2-yl)-1H-indole
Names & synonyms
3-(2-methyl-1,3-dithiolan-2-yl)-1H-indole54921-44-73-(2-Methyl-1,3-dithiolan-2-yl)indoleUNII-50SBH18JO550SBH18JO5INDOLE, 3-(2-METHYL-1,3-DITHIOLAN-2-YL)-DTXSID602034341H-Indole, 3-(2-methyl-1,3-dithiolan-2-yl)-2-(3-INDOLYL)-2-METHYL-1,3-DITHIOLANERefChem:92225DTXCID60125925AL-182/12304022
Show more names
Q27260816
Database identifiers
- CAS
54921-44-7- PubChem CID
- 41233
- DTXSID
DTXSID60203434- UNII
- 50SBH18JO5
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 66.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 238
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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