4-Phenylbutanoic acid-benzyl carbamimidothioate(1:1)
Basic information
- CAS
4521-14-6- Standard SMILES
N=C(N)SCc1ccccc1.O=C(O)CCCc1ccccc1- InChIKey
NYAVHFHUZAZEET-UHFFFAOYSA-N- Molecular formula
- C18H22N2O2S
- Average molar mass
- 330.4 g/mol
- Monoisotopic mass
- 330.14019912
Names & identifiers
- Preferred name
- 4-Phenylbutanoic acid-benzyl carbamimidothioate(1:1)
- IUPAC
- benzyl carbamimidothioate;4-phenylbutanoic acid
Names & synonyms
4521-14-64-phenylbutanoic acid- benzyl carbamimidothioate(1:1)NSC100938DTXSID30295280NSC-1009384-Phenylbutanoic acid--benzyl carbamimidothioate (1/1)
Database identifiers
- CAS
4521-14-6- PubChem CID
- 265124
- DTXSID
DTXSID30295280
Properties
Computed structural properties
- Topological polar surface area
- 112 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 267
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…