Basic information
- CAS
61830-39-5- Standard SMILES
c1ccc2c(SSc3c[nH]c4ccccc34)c[nH]c2c1- InChIKey
NNBHHSOOWJVMMD-UHFFFAOYSA-N- Molecular formula
- C16H12N2S2
- Average molar mass
- 296.4 g/mol
- Monoisotopic mass
- 296.04419074
Names & identifiers
- Preferred name
- 3,3'-Diindolyl Disulphide
- IUPAC
- 3-(1H-indol-3-yldisulfanyl)-1H-indole
- English name
- 3,3'-Diindolyl disulphide
- Molecular formula
- C16H12N2S2
- Molecular weight
- 296.41
Names & synonyms
3,3'-Diindolyl Disulphide61830-39-5DTXSID80395128RefChem:269913DTXCID403459873-(1H-indol-3-yldisulfanyl)-1H-indole1,2-Di(1H-indol-3-yl)disulfaneDiindol-3-yl Disulfide3,3'-Dithiobis-1H-indoledi(3-indolyl) disulfideSCHEMBL9328490C16H12N2S2
Show more names
1H-Indole, 3,3'-dithiobis-
3,3'-Disulfanediyldi(1H-indole)MFCD04973595AKOS0302402973,3'-Dithiobis-1H-indole; Diindol-3-yl Disulfide;
Database identifiers
- CAS
61830-39-5- PubChem CID
- 3692626
- DTXSID
DTXSID80395128
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 82.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 306
Physicochemical properties
- Melting point
- 218 · 218-220°C dec.
- storage temp.
- -20 °C · -20°C Freezer
- solubility
- DMSO (Slightly)
- form
- Solid
- color
- Pale Brown
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-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
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Applications
UsesAn precursor for 3-Mercaptoindole
Suppliers7 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
凯试（上海）科技有限公司021-50135380 · [email protected]
武汉格莱菲医药科技有限公司18995639250 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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