Basic information
- CAS
18690-24-9- Standard SMILES
OCC(O)C(O)C(O)c1csc(=S)[nH]1- InChIKey
OHPAAKGMNDIZKS-UHFFFAOYSA-N- Molecular formula
- C7H11NO4S2
- Average molar mass
- 237.3 g/mol
- Monoisotopic mass
- 237.01295018
Names & identifiers
- Preferred name
- 4-(1,2,3,4-Tetrahydroxybutyl)-1,3-thiazole-2(3H)-thione
- IUPAC
- 4-(1,2,3,4-tetrahydroxybutyl)-3H-1,3-thiazole-2-thione
Names & synonyms
18690-24-94-(1,2,3,4-tetrahydroxybutyl)-1,3-thiazole-2(3H)-thioneDTXSID70397979RefChem:286551DTXCID00348838NSC231274OHPAAKGMNDIZKS-UHFFFAOYSA-NNSC-2312742(3H)-thiazolethione, 4-(1,2,3,4-tetrahydroxybutyl)-
Database identifiers
- CAS
18690-24-9- PubChem CID
- 3922372
- DTXSID
DTXSID70397979
Properties
Computed structural properties
- XLogP
- -1.9
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 5
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 258
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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