Ciba 2696-Go
Basic information
- CAS
24095-80-5- Standard SMILES
CNC(=S)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1- InChIKey
ORMMCUAXJAUNIG-UHFFFAOYSA-N- Molecular formula
- C10H9F6N3S
- Average molar mass
- 317.26 g/mol
- Monoisotopic mass
- 317.04213745
Overview
structure
Names & identifiers
- Preferred name
- Ciba 2696-Go
- IUPAC
- 1-[3,5-bis(trifluoromethyl)anilino]-3-methylthiourea
Names & synonyms
24095-80-5Ciba 2696-GoCIBA 2696GoCIBA-2696GoDTXSID00178819Hydrazinecarbothioamide, 2-(3,5-bis(trifluoromethyl)phenyl)-N-methyl-RefChem:918608DTXCID101013104-Methyl-1-(3,5-bistrifluoromethylphenyl)thiosemicarbazide1-[3,5-bis(trifluoromethyl)anilino]-3-methylthiourea2-[3,5-Bis(trifluoromethyl)phenyl]-N-methyl-HydrazinecarbothioamideVBL94KXD53
Show more names
Ciba 2696 GoC 2696-GoGo 2696BRN 07621811-(3,5-BIS(TRIFLUOROMETHYL)ANILINO)-3-METHYLTHIOUREA2-(3,5-bis(trifluoromethyl)phenyl)-n-methyl-hydrazinecarbothioamide1-((3,5-Bis-trifluoromethyl)phenyl)-4-methyl-thiosemicarbazideUNII-VBL94KXD53
Database identifiers
- CAS
24095-80-5- PubChem CID
- 3036893
- DTXSID
DTXSID00178819- UNII
- VBL94KXD53
- Nikkaji
- J93.084I
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 68.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 321
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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