DTT
- Molecular formula
- C4 H10 O2 S2
- Molecular weight (g/mol)
- 154.26
- Classification
- NATURAL_PRODUCT
Related PDB structures · 10
Names & identifiers
- IUPAC name
- 2,3-DIHYDROXY-1,4-DITHIOBUTANE
- SMILES
- C(C(C(CS)O)O)S
- Isomeric SMILES
- C([C@@H]([C@H](CS)O)O)S
- InChI
- InChI=1S/C4H10O2S2/c5-3(1-7)4(6)2-8/h3-8H,1-2H2/t3-,4-/m0/s1
- InChIKey
- VHJLVAABSRFDPM-IMJSIDKUSA-N
- CAS
- 16096-97-2, 3483-12-3
Chemical & physical properties
- HBA
- 4
- HBD
- 4
- TPSA (Ų)
- 40.46
- cLogP
- -0.43
- Chiral atoms
- 2
- Molar refractivity
- 39.72
- Rings
- 0
- Aromatic rings
- 0
- Fraction Csp³
- 1.0
- Formal charge
- 0
Calculated properties
QED0.417
NPScore0.008182097
SAScore7.810906739