|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
332
Total Number of Articles : 260
|
| PubChem |
16741
|
| Molecular Formula |
C9H9NS |
| SMILES |
C1=CC=C(C=C1)CCN=C=S |
| InChI |
InChI=1S/C9H9NS/c11-8-10-7-6-9-4-2-1-3-5-9/h1-5H,6-7H2 |
| synonyms |
- 2-Phenylethyl isothiocyanate
- Phenethyl isothiocyanate
- 2257-09-2
- Phenylethyl isothiocyanate
- (2-Isothiocyanatoethyl)benzene
- 2-isothiocyanatoethylbenzene
- Benzene, (2-isothiocyanatoethyl)-
- PEITC
- Phenylaethylsenfoel
- ISOTHIOCYANIC ACID, PHENETHYL ESTER
- PHENETHYLISOTHIOCYANATE
- phenethyl-isothiocyanate
- 2-phenethyl isothiocyanate
- beta-Phenylethyl isothiocyanate
- .beta.-Phenylethyl isothiocyanate
- CHEBI:351346
- MFCD00004821
- NSC 87868
- 6U7TFK75KV
- beta-Phenethyl isothiocyanate
- CHEMBL151649
- .beta.-Phenethyl isothiocyanate
- 1-Isothiocyanato-2-phenylethane
- DTXSID5021120
- NSC-87868
- Isothiocyanic Acid 2-Phenylethyl Ester
- 2-phenylethylisothiocyanate
- Phenylaethylsenfoel [German]
- 1-ISOTHIOCYANATO-2-PHENYLETHANE (1,1,2,2-D4)
- CCRIS 3146
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|
| Properties |
| Property |
Value |
| MW |
163.24 g/mol |
| HBD |
0 |
| HBA |
2 |
| Rotatable Bond Count |
3 |
| Exact Mass |
163.04557046 g/mol |
| Monoisotopic Mass |
163.04557046 g/mol |
| Heavy Atom Count |
11 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
144 |
| xlogp |
3.5 |
| Topological Polar Surface Area |
44.4 |
|