Basic information
- CAS
14804-01-4- Standard SMILES
c1n[nH]c(SSc2ncn[nH]2)n1- InChIKey
QDQRBNVXOJWPIJ-UHFFFAOYSA-N- Molecular formula
- C4H4N6S2
- Average molar mass
- 200.3 g/mol
- Monoisotopic mass
- 199.9938865
Names & identifiers
- Preferred name
- 3,3'-Dithiobis(1H-1,2,4-triazole)
- IUPAC
- 5-(1H-1,2,4-triazol-5-yldisulfanyl)-1H-1,2,4-triazole
- English name
- 3,3'-dithiobis(1H-1,2,4-triazole)
- Molecular formula
- C4H4N6S2
- Molecular weight
- 200.24476
Names & synonyms
14804-01-41,2-Di(1H-1,2,4-triazol-3-yl)disulfane3,3'-Dithiobis(1H-1,2,4-triazole)5-(1H-1,2,4-triazol-5-yldisulfanyl)-1H-1,2,4-triazole1H-1,2,4-Triazole, 5,5'-dithiobis-EINECS 238-869-53,3/'-Dithiobis(1H-1,2,4-triazole)MFCD010879013,3'-disulfanediylbis(1H-1,2,4-triazole)starbld0002923S9AZV4ZW59SCHEMBL159035
Show more names
SCHEMBL173517SCHEMBL169072831,2,4-triazol-3-yl disulfideDTXSID50163871STL300747AKOS001036330AKOS024343060Bis(1,2,4-triazol-3-yl) disulfide
Database identifiers
- CAS
14804-01-4- PubChem CID
- 84653
- DTXSID
DTXSID50163871- UNII
- S9AZV4ZW59
- EC Number
- 104-555-0、238-869-5
- Nikkaji
- J227.196F
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 134 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 130
Physicochemical properties
- Melting point
- 179 · 179-183 °C (decomp)
- Boiling point
- 578.1 · 578.1±33.0 °C(Predicted)
- Density
- 1.83 · 1.83±0.1 g/cm3(Predicted)
- pka
- 7.6 · 7.60±0.20(Predicted)
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
Chemistry & industry
Suppliers7 total
陕西缔都新材料有限公司029-63373950 17392216152 · [email protected]
河南阿尔法化工有限公司0371-55013243 15324716602 · [email protected]
南京芊亿达新材料科技有限公司15384069853 · [email protected]
江西瑞雅药业有限公司0795-7229183 19170706235 · [email protected]
河南伊诺凯新材料有限公司18836288690 18836288690 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
合肥钼凯医药科技有限公司18001872185; 18001872185 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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