Basic information
- Standard SMILES
S=c1nn[nH]n1-c1cccc2ccccc12- InChIKey
QUFRGNOIJAGRFY-UHFFFAOYSA-N- Molecular formula
- C11H8N4S
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.04696726
Names & identifiers
- Preferred name
- 1,2-Dihydro-1-naphthyl-5H-tetrazole-5-thione
- IUPAC
- 1-naphthalen-1-yl-2H-tetrazole-5-thione
- English name
- 1,2-dihydro-1-naphthyl-5H-tetrazole-5-thione
- Molecular formula
- C11H8N4S
- Molecular weight
- 228.27
Names & synonyms
14331-22-71,2-Dihydro-1-naphthyl-5H-tetrazole-5-thione1-naphthalen-1-yl-2H-tetrazole-5-thione1-(naphthalen-1-yl)-1H-tetrazole-5-thiol1,2-Dihydro-1-(1-naphthalenyl)-5H-tetrazole-5-thione1-(1-naphthyl)-1h-tetrazole-5-thiolNSC-508893EINECS 238-275-6NSC508893SCHEMBL859433SCHEMBL1702844SCHEMBL10466989
Show more names
5H-Tetrazole-5-thione, 1,2-dihydro-1-(1-naphthalenyl)-
SCHEMBL12892335DTXSID50162384QUFRGNOIJAGRFY-UHFFFAOYSA-N5X59ZR29Q71-naphthalen-1-yltetrazole-5-thiolSTL199315AKOS009281486NSC 508893
Database identifiers
- CAS
14331-22-7- PubChem CID
- 2731701
- DTXSID
DTXSID50162384- UNII
- 5X59ZR29Q7
- EC Number
- 238-275-6
- Nikkaji
- J216.965G
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 317
Physicochemical properties
- FDA UNII
- 5 X59ZR29Q7 · 5X59ZR29Q7
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
8 records
Linked notes
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