Basic information
- CAS
3134-66-5- Standard SMILES
CCCSC(=O)N1CCCCCC1- InChIKey
CCHAJHCNTVMJPW-UHFFFAOYSA-N- Molecular formula
- C10H19NOS
- Average molar mass
- 201.33 g/mol
- Monoisotopic mass
- 201.1187354
Names & identifiers
- Preferred name
- S-propyl hexahydro-1H-azepine-1-carbothioate
- IUPAC
- S-propyl azepane-1-carbothioate
- English name
- S-propyl hexahydro-1H-azepine-1-carbothioate
- Molecular formula
- C10H19NOS
- Molecular weight
- 201.33
Names & synonyms
S-Propyl hexahydro-1H-azepine-1-carbothioate3134-66-5EINECS 221-530-0RefChem:180718221-530-0s-propyl azepane-1-carbothioateDTXSID80953383CCHAJHCNTVMJPW-UHFFFAOYSA-NNS00046051Hexahydro-1H-azepine-1-carbothioic acid S-propyl ester1H-Azepine-1-carbothioic acid, hexahydro-, S-propyl ester
Database identifiers
- CAS
3134-66-5- PubChem CID
- 76584
- DTXSID
DTXSID80953383- EC Number
- 221-530-0
- Nikkaji
- J217.288G
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 45.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 153
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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