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Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
171
Total Number of Articles : 113
|
| PubChem |
2346
|
| Molecular Formula |
C8H7NS |
| SMILES |
C1=CC=C(C=C1)CN=C=S |
| InChI |
InChI=1S/C8H7NS/c10-7-9-6-8-4-2-1-3-5-8/h1-5H,6H2 |
| synonyms |
- benzyl isothiocyanate
- 622-78-6
- Benzylisothiocyanate
- (Isothiocyanatomethyl)benzene
- Benzylsenfoel
- Tromacaps
- Tromalyt
- Urogran
- Isothiocyanic acid, benzyl ester
- Benzene, (isothiocyanatomethyl)-
- Benzyl-isothiocyanate
- isothiocyanatomethylbenzene
- Isothiocyanic Acid Benzyl Ester
- alpha-isothiocyanatotoluene
- phenylmethyl isothiocyanate
- Isothiocyanotaomethylbenzene
- PMITC cpd
- BITC
- Toluene, alpha-isothiocyanato-
- Benzylsenfoel [German]
- AB 2 (VAN)
- CCRIS 3145
- NSC 118976
- Isothiocyanatomethyl)benzene
- isothiocyanatomethyl-benzene
- EINECS 210-753-9
- UNII-871J6YOR8Q
- MFCD00004819
- BRN 0386135
- 1-(isothiocyanatomethyl)benzene
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| Properties |
| Property |
Value |
| MW |
149.21 g/mol |
| HBD |
0 |
| HBA |
2 |
| Rotatable Bond Count |
2 |
| Exact Mass |
149.02992040 g/mol |
| Monoisotopic Mass |
149.02992040 g/mol |
| Heavy Atom Count |
10 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
132 |
| xlogp |
3.2 |
| Topological Polar Surface Area |
44.4 |
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