Naphtho(1,2-b)thiophene
Basic information
- CAS
234-41-3- Standard SMILES
c1ccc2c(c1)ccc1ccsc12- InChIKey
XHYRHAQEXJIVJX-UHFFFAOYSA-N- Molecular formula
- C12H8S
- Average molar mass
- 184.26 g/mol
- Monoisotopic mass
- 184.03467143
Overview
structure in first source
Names & identifiers
- Preferred name
- Naphtho(1,2-b)thiophene
- IUPAC
- benzo[g][1]benzothiole
- English name
- naphtho[1,2-b]thiophene
- Molecular formula
- C12H8S
- Molecular weight
- 184.26
Names & synonyms
Naphtho[1,2-b]thiophene6,7-BenzothionaphtheneNAPHTHO(1,2-b)THIOPHENE234-41-368KB4PUM3LDTXSID50177953RefChem:164673DTXCID10100444205-941-2BRN 0120792EINECS 205-941-21-Thia-1H-benz[e]indene
Show more names
benzo[g]benzothiophenebenzo[g][1]benzothiole
SCHEMBL3419065SCHEMBL5865972SCHEMBL5866020SCHEMBL29853165SCHEMBL29874031AKOS006278203NS00027418
Database identifiers
- CAS
234-41-3- PubChem CID
- 9193
- DTXSID
DTXSID50177953- UNII
- 68KB4PUM3L
- EC Number
- 205-941-2
- Nikkaji
- J150.929B
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
LogP4.55
Physicochemical properties
- FDA UNII
- 68 KB4PUM3L · 68KB4PUM3L
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Related reactions
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Compound notes
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