Basic information
- CAS
4426-75-9- Standard SMILES
c1ccc2c(c1)CCSC2- InChIKey
ZZQUQFZVCJWSER-UHFFFAOYSA-N- Molecular formula
- C9H10S
- Average molar mass
- 150.24 g/mol
- Monoisotopic mass
- 150.05032149
Overview
structure
Names & identifiers
- Preferred name
- Isothiochroman
- IUPAC
- 3,4-dihydro-1H-isothiochromene
- English name
- 3,4-Dihydro-1H-2-benzothiopyran
- Molecular weight
- 0
Names & synonyms
Isothiochroman4426-75-93,4-Dihydro-1H-2-benzothiopyranDTXSID10196089RefChem:923817DTXCID701185803,4-Dihydro-1H-isothiochromeneThioisochroman1H-2-Benzothiopyran, 3,4-dihydro-starbld0019565SCHEMBL128327SCHEMBL128538
Show more names
SCHEMBL128823SCHEMBL128877SCHEMBL129203SCHEMBL130277SCHEMBL131644SCHEMBL255957SCHEMBL885617SCHEMBL7293364
Database identifiers
- CAS
4426-75-9- PubChem CID
- 78149
- DTXSID
DTXSID10196089- Nikkaji
- J99.996B
Properties
Computed structural properties
- XLogP
- 2.4
- 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
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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