Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo-
Basic information
- CAS
85386-72-7- Standard SMILES
O=C(O)CN1C(=S)c2cccc3c(Cl)cc(Cl)c1c23- InChIKey
XSTQIQNGEPUJMW-UHFFFAOYSA-N- Molecular formula
- C13H7Cl2NO2S
- Average molar mass
- 312.2 g/mol
- Monoisotopic mass
- 310.957455
Names & identifiers
- Preferred name
- Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo-
- IUPAC
- 2-(6,8-dichloro-2-sulfanylidenebenzo[cd]indol-1-yl)acetic acid
Names & synonyms
Benz(cd)indole-1(2H)-acetic acid, 6,8-dichloro-2-thioxo-6,8-Dichloro-2-thioxobenz(cd)indole-1(2H)-acetic acid85386-72-7DTXSID50234550RefChem:321074DTXCID80157041SCHEMBL11178892(6,8-Dichloro-2-sulfanylidenebenzo[cd]indol-1(2H)-yl)acetic acid
Database identifiers
- CAS
85386-72-7- PubChem CID
- 3069841
- DTXSID
DTXSID50234550
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 419
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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