4-Isothiazol-4-yl-2-methylbut-3-yn-2-ol
Basic information
- CAS
1310558-46-3- Standard SMILES
CC(C)(O)C#Cc1cnsc1- InChIKey
XDASPYAAIJRGST-UHFFFAOYSA-N- Molecular formula
- C8H9NOS
- Average molar mass
- 167.23 g/mol
- Monoisotopic mass
- 167.04048508
Names & identifiers
- Preferred name
- 4-Isothiazol-4-yl-2-methylbut-3-yn-2-ol
- IUPAC
- 2-methyl-4-(1,2-thiazol-4-yl)but-3-yn-2-ol
Names & synonyms
4-(Isothiazol-4-yl)-2-methylbut-3-yn-2-ol1310558-46-34-isothiazol-4-yl-2-methylbut-3-yn-2-ol2-methyl-4-(1,2-thiazol-4-yl)but-3-yn-2-olDTXSID101265909SBB074396STL433309AKOS016347739CS-03601763-Butyn-2-ol, 4-(4-isothiazolyl)-2-methyl-
Database identifiers
- CAS
1310558-46-3- PubChem CID
- 51138335
- DTXSID
DTXSID101265909
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 201
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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