Basic information
- CAS
108923-79-1- Standard SMILES
CSC(N)=C(C#N)C(C#N)=C(N)SC- InChIKey
LBQNBMSPTURKGS-UHFFFAOYSA-N- Molecular formula
- C8H10N4S2
- Average molar mass
- 226.3 g/mol
- Monoisotopic mass
- 226.03468868
Names & identifiers
- Preferred name
- Bis[amino(methylsulfanyl)methylidene]butanedinitrile
- IUPAC
- 2,3-bis[amino(methylsulfanyl)methylidene]butanedinitrile
- English name
- U0124
- Molecular formula
- C8H10N4S2
- Molecular weight
- 226.32
Names & synonyms
108923-79-1u01242,3-Bis(amino(methylthio)methylene)succinonitrilebis[amino(methylsulfanyl)methylidene]butanedinitrile2,3-bis[amino(methylsulfanyl)methylidene]butanedinitrile1,4-Diamino-2,3-dicyano-1,4-bis(methylthio)butadieneHMS3268M04U-0124orb1703956SCHEMBL15204297DTXSID10274472U0124 (Mixture of Isomers)
Show more names
BIS[AMINO(METHYLTHIO)METHYLENE]BUTANEDINITRILEButanedinitrile, 2,3-bis[amino(methylthio)methylene]-
Database identifiers
- CAS
108923-79-1- PubChem CID
- 5627
- DTXSID
DTXSID10274472
Properties
Computed structural properties
- XLogP
- 0.2
- Topological polar surface area
- 150 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 339
Physicochemical properties
- Melting point
- 190 · 190-192 °C
- Boiling point
- 344.9 · 344.9±42.0 °C(Predicted)
- Density
- 1.338 · 1.338±0.06 g/cm3(Predicted)
- storage temp.
- Store at RT
- solubility
- DMSO (Slightly, Sonicated), Methanol (Slightly, Heated, Sonicated)
- form
- Solid
- pka
- -0.76 · -0.76±0.70(Predicted)
- color
- White to Off-White
Chemistry & industry
Applications
UsesU0124 is a novel inhibitor of mitogen-activated protein kinase.
Suppliers7 total
武汉易泰科技有限公司上海分公司18930552037 · [email protected]
MedBio脉铂医药021-69568360 18916172912 · [email protected]
上海陶术生物科技股份有限公司+1-781-999-5354; +1-00000000000 · [email protected]
EMMX Biotechnology LLC888-539-0666 · [email protected]
TargetMol中国（陶术生物）4008200310 15002144251 · [email protected]
TLC梯尔希（南京）药物研发有限公司18012923235 18012923235 · [email protected]
上海一飞生物科技有限公司021-65675885 18964387627 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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