Basic information
- CAS
101517-13-9- Standard SMILES
CC(C)SCCCCCCC(N)=O- InChIKey
RNOCVYPIICITNX-UHFFFAOYSA-N- Molecular formula
- C10H21NOS
- Average molar mass
- 203.35 g/mol
- Monoisotopic mass
- 203.13438547
Names & identifiers
- Preferred name
- Heptanamide, 7-isopropylthio-
- IUPAC
- 7-propan-2-ylsulfanylheptanamide
Names & synonyms
7-IsopropylthioheptanamideHEPTANAMIDE, 7-ISOPROPYLTHIO-101517-13-9DTXSID40143980RefChem:347209DTXCID30664717-[(Propan-2-yl)sulfanyl]heptanamide
Database identifiers
- CAS
101517-13-9- PubChem CID
- 58495
- DTXSID
DTXSID40143980- Nikkaji
- J73.613I
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 8
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 137
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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