Basic information
- Standard SMILES
NCCSCc1csc(CO)n1- InChIKey
IMMKZZIFCQKIAA-UHFFFAOYSA-N- Molecular formula
- C7H12N2OS2
- Average molar mass
- 204.3 g/mol
Names & identifiers
- Preferred name
- 4-[[(2-Aminoethyl)thio]-methyl]-2-hydroxymethylthiazole
- IUPAC
- [4-(2-aminoethylsulfanylmethyl)-1,3-thiazol-2-yl]methanol
Names & synonyms
SCHEMBL8341614IMMKZZIFCQKIAA-UHFFFAOYSA-N4-[[(2-aminoethyl)thio]-methyl]-2-hydroxymethylthiazole4-[[(2-aminoethyl)thio]methyl]-2-hydroxymethyl thiazole4-[[(2-aminoethyl)thio]methyl]-2-hydroxymethylthiazole
Database identifiers
- PubChem CID
- 19612237
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 126
Related reactions
6 records
Compound notes
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