N-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]hydrazinecarbothioamide
Basic information
- CAS
438228-03-6- Standard SMILES
CCNC(=S)NNC(=O)c1csc2c1CCC(C)C2- InChIKey
OBBAZFAVESKXEV-UHFFFAOYSA-N- Molecular formula
- C13H19N3OS2
- Average molar mass
- 297.4 g/mol
- Monoisotopic mass
- 297.09695459
Names & identifiers
- Preferred name
- N-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]hydrazinecarbothioamide
- IUPAC
- 1-ethyl-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea
Names & synonyms
438228-03-6N-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothien-3-yl)carbonyl]hydrazinecarbothioamide4,5,6,7-Tetrahydro-6-methylbenzo[b]thiophene-3-carboxylic acid 2-[(ethylamino)thioxomethyl]hydrazideN-ethyl-2-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]hydrazinecarbothioamideMLS000544591CHEMBL1519512DTXSID801113779HMS2325M23STK449172AKOS003295937AKOS0221509301-ethyl-3-[(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]thiourea
Show more names
SMR000159996ST50831556AK-968/41171437N-{[(ethylamino)thioxomethyl]amino}(6-methyl(4,5,6,7-tetrahydrobenzo[b]thiophe n-3-yl))carboxamideN-Ethyl-2-(6-methyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)hydrazine-1-carbothioamide
Database identifiers
- CAS
438228-03-6- PubChem CID
- 4415534
- DTXSID
DTXSID801113779- ChEMBL
CHEMBL1519512
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 351
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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