Basic information
- CAS
233-02-3- Standard SMILES
c1ccc2c(c1)ccc1sccc12- InChIKey
LJOLGGXHRVADAA-UHFFFAOYSA-N- Molecular formula
- C12H8S
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.03467143
Names & identifiers
- Preferred name
- Naphtho[2,1-b]thiophene
- IUPAC
- benzo[e][1]benzothiole
- English name
- naphtho[2,1-b]thiophene
- Molecular formula
- C12H8S
- Molecular weight
- 184.26
Names & synonyms
Naphtho[2,1-b]thiophene233-02-3Naphtho(2,1-b)thiopheneDEK3WGN7VFEINECS 205-939-1Naphtho[2.1-b]thiopheneNAPHTHO(2.1-B)THIOPHENEDTXSID40177866RefChem:164716DTXCID00100357205-939-1LJOLGGXHRVADAA-UHFFFAOYSA-N
Show more names
benzo[e][1]benzothiole
Naphthothiophenebenzo[e]benzothiopheneUNII-DEK3WGN7VFSCHEMBL420650SCHEMBL2109554SCHEMBL9164830NS00042225
Database identifiers
- CAS
233-02-3- PubChem CID
- 67474
- DTXSID
DTXSID40177866- UNII
- DEK3WGN7VF
- EC Number
- 205-939-1
- Nikkaji
- J150.930F
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 190
Experimental & physicochemical properties
LogP4.41
Physicochemical properties
- FDA UNII
- 3 WGN7VF · DEK3WGN7VF
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers3 total
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
淄博百极荣创医药科技有限公司0533-6092686 13371592196 · [email protected]
卓萃新材料科技（上海）有限公司021-52836897 13917661608 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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