Nip 200
Basic information
- CAS
16486-28-5- Standard SMILES
CN1C(=S)SC(c2ccccc2)N(C)C1c1ccccc1- InChIKey
VWLWUCKZXTYFGA-UHFFFAOYSA-N- Molecular formula
- C17H18N2S2
- Average molar mass
- 314.5 g/mol
- Monoisotopic mass
- 314.09114093
Names & identifiers
- Preferred name
- Nip 200
- IUPAC
- 3,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinane-2-thione
- English name
- NIP 200
- Molecular formula
- C17H18N2S2
- Molecular weight
- 314.47
Names & synonyms
Nip-20016486-28-5Nip 200RefChem:1659843,5-dimethyl-4,6-diphenyl-1,3,5-thiadiazinane-2-thione2H-1,3,5-Thiadiazine-2-thione, tetrahydro-3,5-dimethyl-4,6-diphenyl-ChemDiv3_002694NSC 157369SCHEMBL10373154DTXSID00937004NIP 261HMS1480K10
Show more names
3,4,5,6-Tetrahydro-3,5-dimethyl-4,6-diphenyl-2H-1,3,5-thiadiazine-2-thione
NSC157369Tetrahydro-3,5-dimethyl-4,6-diphenyl-2H-1,3,5-thiadiazine-2-thioneAKOS000620601AKOS016088653NSC-157369NCGC00161900-01ST50101471SR-01000474798
Database identifiers
- CAS
16486-28-5- PubChem CID
- 98963
- DTXSID
DTXSID00937004- Nikkaji
- J326.576E
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 63.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 362
Physicochemical properties
- Boiling point
- 436.8 · 436.8±55.0 °C(Predicted)
- Density
- 1.27 · 1.27±0.1 g/cm3(Predicted)
- pka
- 2.53 · 2.53±0.60(Predicted)
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Related reactions
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Compound notes
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