Benzene, (3-butynylthio)-
Basic information
- CAS
10575-06-1- Standard SMILES
C#CCCSc1ccccc1- InChIKey
ONVUXTUODGABSO-UHFFFAOYSA-N- Molecular formula
- C10H10S
- Average molar mass
- 162.25 g/mol
- Monoisotopic mass
- 162.05032149
Names & identifiers
- Preferred name
- Benzene, (3-butynylthio)-
- IUPAC
- but-3-ynylsulfanylbenzene
Names & synonyms
Benzene, (3-butynylthio)-10575-06-1DTXSID10446733RefChem:323139DTXCID10397554[(But-3-yn-1-yl)sulfanyl]benzeneAKOS012965722
Database identifiers
- CAS
10575-06-1- PubChem CID
- 10877445
- DTXSID
DTXSID10446733- Nikkaji
- J596.317F
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 25.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 136
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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