|
Structure
|
|
| Relationships |
Total Number of functionally related protein(s) :
46
Total Number of Articles : 57
|
| PubChem |
7969
|
| Molecular Formula |
C6H6S |
| SMILES |
C1=CC=C(C=C1)S |
| InChI |
InChI=1S/C6H6S/c7-6-4-2-1-3-5-6/h1-5,7H |
| synonyms |
- Benzenethiol
- THIOPHENOL
- Phenyl mercaptan
- Phenylmercaptan
- thiophenate
- FEMA No. 3616
- CCRIS 8922
- HSDB 5387
- EINECS 203-635-3
- UN2337
- UNII-7K011JR4T0
- BRN 0506523
- DTXSID7026811
- CHEBI:48498
- AI3-15418
- 7K011JR4T0
- THIOPHENOL [MI]
- NSC-6953
- THIOPHENOL [HSDB]
- BENZENETHIOL [FHFI]
- DTXCID906811
- EC 203-635-3
- 4-06-00-01463 (Beilstein Handbook Reference)
- UN 2337
- Phenyl mercaptan (ACGIH:OSHA)
- 7722-73-8
- inchi=1/c6h6s/c7-6-4-2-1-3-5-6/h1-5,7
- rmvrsndyefqclf-uhfffaoysa-n
- 108-98-5
- Mercaptobenzene
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|
| Properties |
| Property |
Value |
| MW |
110.18 g/mol |
| HBD |
1 |
| HBA |
1 |
| Rotatable Bond Count |
0 |
| Exact Mass |
110.01902136 g/mol |
| Monoisotopic Mass |
110.01902136 g/mol |
| Heavy Atom Count |
7 |
| Isotope Atom Count |
0 |
| Atom Stereo Count |
0 |
| Covalent Unit Count |
1 |
| Complexity |
46.1 |
| xlogp |
2.5 |
| Topological Polar Surface Area |
1 |
|