2H-1-Benzothiopyran-6-acetic acid, 3,4-dihydro-
Basic information
- CAS
34118-94-0- Standard SMILES
O=C(O)Cc1ccc2c(c1)CCCS2- InChIKey
JGAJZLHGTFUIAA-UHFFFAOYSA-N- Molecular formula
- C11H12O2S
- Average molar mass
- 208.28 g/mol
- Monoisotopic mass
- 208.05580079
Names & identifiers
- Preferred name
- 2H-1-Benzothiopyran-6-acetic acid, 3,4-dihydro-
- IUPAC
- 2-(3,4-dihydro-2H-thiochromen-6-yl)acetic acid
Names & synonyms
34118-94-02-(Thiochroman-6-yl)acetic acid2H-1-Benzothiopyran-6-acetic acid, 3,4-dihydro-2-(3,4-dihydro-2H-1-benzothiopyran-6-yl)acetic acid3,4-Dihydro-2H-1-benzothiopyran-6-acetic acidSCHEMBL9838345DTXSID501252156NCGC01446259-01EN300-8776133(3,4-Dihydro-2H-1-benzothiopyran-6-yl)acetic acidZ1509034411
Database identifiers
- CAS
34118-94-0- PubChem CID
- 20068596
- DTXSID
DTXSID501252156
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 62.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 217
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…