Heptyl carbamimidothioate
Basic information
- CAS
44996-93-2- Standard SMILES
CCCCCCCSC(=N)N- InChIKey
HCNAJTACWLAWAR-UHFFFAOYSA-N- Molecular formula
- C8H18N2S
- Average molar mass
- 174.31 g/mol
- Monoisotopic mass
- 174.11906976
Names & identifiers
- Preferred name
- Heptyl carbamimidothioate
- IUPAC
- heptyl carbamimidothioate
Names & synonyms
heptyl carbamimidothioate44996-93-2Carbamimidothioic acid, heptyl esterSCHEMBL3782640DTXSID30276771AKOS014546322
Database identifiers
- CAS
44996-93-2- PubChem CID
- 199498
- DTXSID
DTXSID30276771- Nikkaji
- J2.116.197G
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 7
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 104
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Related reactions
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Compound notes
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