Basic information
- CAS
36821-08-6- Standard SMILES
Cc1cccc2c1sc1cc3ccccc3cc12- InChIKey
YTNVYFJVEVMZDG-UHFFFAOYSA-N- Molecular formula
- C17H12S
- Average molar mass
- 248.3 g/mol
- Monoisotopic mass
- 248.06597156
Names & identifiers
- Preferred name
- BENZO(b)NAPHTHO(2,3-d)THIOPHENE, 4-METHYL-
- IUPAC
- 4-methylnaphtho[2,3-b][1]benzothiole
- English name
- 4-Methylbenzo[b]naphtho[2,3-d]thiophene
- Molecular weight
- 0
Names & synonyms
36821-08-64-methylbenzo[b]naphtho[2,3-d]thiopheneBENZO(b)NAPHTHO(2,3-d)THIOPHENE, 4-METHYL-4-Methylbenzo(b)naphtho(2,3-d)thiopheneBenzo[b]naphtho[2,3]thiophene, 4-methylBRN 1375507SCHEMBL14883149DTXSID10190289YTNVYFJVEVMZDG-UHFFFAOYSA-N
Database identifiers
- CAS
36821-08-6- PubChem CID
- 37543
- DTXSID
DTXSID10190289- Nikkaji
- J132.022J
Properties
Computed structural properties
- XLogP
- 5.6
- Topological polar surface area
- 28.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Chemistry & industry
Suppliers1 total
虞城县药扬技术服务部17739007752 17324281842 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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