Basic information
- CAS
2054-35-5- Standard SMILES
c1ccc2c(c1)CCCS2- InChIKey
WPWNEKFMGCWNPR-UHFFFAOYSA-N- Molecular formula
- C9H10S
- Average molar mass
- 150.24 g/mol
- Monoisotopic mass
- 150.05032132
Names & identifiers
- Preferred name
- Thiochroman
- IUPAC
- 3,4-dihydro-2H-thiochromene
- English name
- thiochroman
- Molecular formula
- C9H10S
- Molecular weight
- 150.24
Names & synonyms
Thiochroman2054-35-52H-1-Benzothiopyran, 3,4-dihydro-ThiachromanDTXSID301745414H-1-Benzothiopyran, 2,3-dihydro-RefChem:189450DTXCID5097032WPWNEKFMGCWNPR-UHFFFAOYSA-NThiochromane3,4-dihydro-2H-1-benzothiopyran3,4-dihydro-2H-thiochromene
Show more names
SCHEMBL3143SCHEMBL128856SCHEMBL129062SCHEMBL129445SCHEMBL130168SCHEMBL130274SCHEMBL131098SCHEMBL132599
Database identifiers
- CAS
2054-35-5- PubChem CID
- 137415
- DTXSID
DTXSID30174541- Nikkaji
- J131.180H
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 111
Physicochemical properties
- Melting point
- -14.95 °C · -14.95 °C
- Boiling point
- 124 · 124-125 °C(Press: 10 Torr)
- Density
- 1.1267 g/cm3 · 1.1267 g/cm3(Temp: 17.3 °C)
Chemistry & industry
Suppliers1 total
Shaanxi Didu New Materials Co. Ltd+86-86-17392712779 +86-13289823923 · [email protected]
Related reactions
1 records
Compound notes
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