Basic information
- CAS
63834-29-7- Standard SMILES
NCCCCCCCS- InChIKey
VFZBISABHRHOEL-UHFFFAOYSA-N- Molecular formula
- C7H17NS
- Average molar mass
- 147.28 g/mol
- Monoisotopic mass
- 147.10817072
Names & identifiers
- Preferred name
- Heptanethiol, 7-amino-
- IUPAC
- 7-aminoheptane-1-thiol
- English name
- 7-Amino-1-heptanethiol
- Molecular formula
- C7H17NS
- Molecular weight
- 147.28
Names & synonyms
HEPTANETHIOL, 7-AMINO-63834-29-71-Mercapto-7-aminoheptan1-Mercapto-7-aminoheptan [German]DTXSID10213280RefChem:347248DTXCID101357717-aminoheptane-1-thiol7-Amino-1-heptanethiolSCHEMBL64348DB-2967131-Heptanethiol, 7-amino-
Database identifiers
- CAS
63834-29-7- PubChem CID
- 44787
- DTXSID
DTXSID10213280- Nikkaji
- J73.627I
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 27 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 6
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 48.2
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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