Basic information
- CAS
14193-38-5- Standard SMILES
OC1CSSCC1O- InChIKey
YPGMOWHXEQDBBV-UHFFFAOYSA-N- Molecular formula
- C4H8O2S2
- Average molar mass
- 152.2 g/mol
- Monoisotopic mass
- 151.99657184
Names & identifiers
- Preferred name
- Trans-4,5-dihydroxy-1,2-dithiacyclohexane
- IUPAC
- dithiane-4,5-diol
- English name
- trans-4,5-Dihydroxy-1,2-dithiane
- Molecular formula
- C4H8O2S2
- Molecular weight
- 152.24
Names & synonyms
trans-4,5-dihydroxy-1,2-dithiacyclohexaneRefChem:933271dithiane-4,5-dioltrans-4,5-Dihydroxy-1,2-dithiane1,2-Dithiane-4,5-diol14193-38-54,5-Dihydroxy-1,2-dithianeEINECS 238-047-6SCHEMBL561454YPGMOWHXEQDBBV-UHFFFAOYSA-NNS00051953CYCLO-DTT
Show more names
NSC 663605OXIDIZED DTTtrans-1,2-dithiane-4,5-diol(SS,RR)-CYCLO-DITHIOTHREITOLrel-1,2-Dithiane-4β*,5α*-diol(S,S:R,R)-CYCLO-DITHIOTHREITOLtrans-4,5-Dihydroxy-o-dithianetrans-4,5-Dihydroxy-1,2-dithian
Database identifiers
- CAS
14193-38-5- PubChem CID
- 27682
- EC Number
- 238-047-6
- Nikkaji
- J1.477.753I
Properties
Computed structural properties
- XLogP
- -0.6
- Topological polar surface area
- 91.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 68.4
Physicochemical properties
- Melting point
- 130 · 130-132 °C(lit.)
- Boiling point
- 284.9 · 284.9±40.0 °C(Predicted)
- Density
- 1.531 · 1.531±0.06 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 13.28 · 13.28±0.40(Predicted)
- form
- powder
- Appearance
- White to off-white Solid
- InChI
- InChI=1S/C4H8O2S2/c5-3-1-7-8-2-4(3)6/h3-6H,1-2H2/t3-,4-/m1/s1
- InChIKey
- YPGMOWHXEQDBBV-QWWZWVQMSA-N
- SMILES
- O[C@@H]1CSSC[C@H]1O
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P305+P351+P338
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
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- safety_code
- 22-24/25
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P305+P351+P338
Chemistry & industry
Applications
Usestrans-4,5-Dihydroxy-1,2-dithiane is used in preparation of 1,2-Dithiolane compounds useful in neuroprotection, autoimmune and cancer diseases and conditions.
General Descriptiontrans-4,5-Dihydroxy-1,2-dithiane (oxidized dtt) is an intramolecular disulfide form of dithiothreitol. It is a strong reducing agent with an ability to elicit a molecular stress response by activating the stress-responsive genes.
Suppliers44 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
上海康恩博科技有限公司（科小研试剂）400-1388-521 17673770086 · [email protected]
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
武汉丰泰威远科技有限公司+86-27-8746-5837 +86-18627785180 · [email protected]
武汉丰泰威远科技有限公司027-87465837 19945049750 · [email protected]
杭州莱晟生物科技有限公司13456210265 · [email protected]
上海复和化学科技有限公司0086-21-67651709 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…