Acetic acid, 2-((4,5-dihydro-4-oxo-2-thiazolyl)thio)-
Basic information
- CAS
22604-06-4- Standard SMILES
O=C(O)CSC1=NC(=O)CS1- InChIKey
IRDFJVKFKOGADM-UHFFFAOYSA-N- Molecular formula
- C5H5NO3S2
- Average molar mass
- 191.2 g/mol
- Monoisotopic mass
- 190.97108537
Names & identifiers
- Preferred name
- Acetic acid, 2-((4,5-dihydro-4-oxo-2-thiazolyl)thio)-
- IUPAC
- 2-[(4-oxo-1,3-thiazol-2-yl)sulfanyl]acetic acid
- English name
- [(4-oxo-2-thiazolin-2-yl)thio]acetic acid
- Molecular formula
- C5H5NO3S2
- Molecular weight
- 191.2281
Names & synonyms
acetic acid, 2-[(4,5-dihydro-4-oxo-2-thiazolyl)thio]-Acetic acid, 2-((4,5-dihydro-4-oxo-2-thiazolyl)thio)-RefChem:55206922604-06-4Acetic acid, [(4,5-dihydro-4-oxo-2-thiazolyl)thio]-KT6763OK072-((4-Oxo-1,3-thiazol-2-yl)sulfanyl)acetic acidAcetic acid, ((4,5-dihydro-4-oxo-2-thiazolyl)thio)-EINECS 245-118-5((4-Oxo-2-thiazolin-2-yl)thio)acetic acidUNII-KT6763OK07(4-oxo-4,5-dihydro-thiazol-2-ylsulfanyl)-acetic acid
Show more names
[(4-oxo-2-thiazolin-2-yl)thio]acetic acid
DTXSID1066813IRDFJVKFKOGADM-UHFFFAOYSA-NNS00053212[(4-Oxo-4,5-dihydro-1,3-thiazol-2-yl)sulfanyl]acetic acid
Database identifiers
- CAS
22604-06-4- PubChem CID
- 89766
- DTXSID
DTXSID1066813- UNII
- KT6763OK07
- EC Number
- 245-118-5
- Nikkaji
- J286.257C
Properties
Computed structural properties
- XLogP
- 0.9
- Topological polar surface area
- 117 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 226
Physicochemical properties
- FDA UNII
- 6763 OK07 · KT6763OK07
- EPA Substance Registry System
- Acetic acid, [(4,5-dihydro-4-oxo-2-thiazolyl)thio]- (22604-06-4)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
General Manufacturing InformationAcetic acid, 2-[(4,5-dihydro-4-oxo-2-thiazolyl)thio]-: INACTIVE
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Related reactions
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Compound notes
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