S-(2-Hydroxyethyl) {4-[(E)-phenyldiazenyl]phenyl}carbamothioate
Basic information
- CAS
79479-13-3- Standard SMILES
O=C(Nc1ccc(N=Nc2ccccc2)cc1)SCCO- InChIKey
YHUWMUTVSZKEJE-UHFFFAOYSA-N- Molecular formula
- C15H15N3O2S
- Average molar mass
- 301.4 g/mol
- Monoisotopic mass
- 301.0884979
Names & identifiers
- Preferred name
- S-(2-Hydroxyethyl) {4-[(E)-phenyldiazenyl]phenyl}carbamothioate
- IUPAC
- S-(2-hydroxyethyl) N-(4-phenyldiazenylphenyl)carbamothioate
Names & synonyms
79479-13-3NSC353486DTXSID50319997S-(2-Hydroxyethyl) {4-[(E)-phenyldiazenyl]phenyl}carbamothioateNSC-353486S-2-Hydroxyethyl {4-[(E)-phenyldiazenyl]phenyl}carbamothioate
Database identifiers
- CAS
79479-13-3- PubChem CID
- 337008
- DTXSID
DTXSID50319997
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 99.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 338
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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