Basic information
- CAS
6316-86-5- Standard SMILES
O=NSC(c1ccccc1)(c1ccccc1)c1ccccc1- InChIKey
YLEVRGODADSYBK-UHFFFAOYSA-N- Molecular formula
- C19H15NOS
- Average molar mass
- 305.4 g/mol
- Monoisotopic mass
- 305.08743528
Names & identifiers
- Preferred name
- Thionitrous acid (HNOS), S-(triphenylmethyl) ester
- IUPAC
- [nitrososulfanyl(diphenyl)methyl]benzene
- English name
- Tritylnitroso sulfide
- Molecular formula
- C19H15NOS
- Molecular weight
- 305.39
Names & synonyms
Trityl thionitrite6316-86-5Thionitrous acid (HNOS), S-(triphenylmethyl) esterEDT6XKN756NSC-22519RefChem:1100005Sulfide, nitroso tritylS-Trityl thionitriteNitroso trityl sulfideC19H15NOSTrityl thionitrite, Ph3CSNO1,1',1''-[(nitrososulfanyl)methanetriyl]tribenzene
Show more names
Nsc22519Tritylnitroso sulfideTriphenylnitrosothiomethaneTriphenyl(nitrosothio)methane(Nitrosothio)triphenylmethane
NSC 22519[nitrososulfanyl(diphenyl)methyl]benzeneBRN 2133826S-Nitroso-triphenylmethanethioltrityl-s-nitrosothiolPh3CSNOUNII-EDT6XKN756Nitroso-triphenylmethanethiol
Database identifiers
- CAS
6316-86-5- PubChem CID
- 95186
- DTXSID
DTXSID80212503- UNII
- EDT6XKN756
- Nikkaji
- J90.668I
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 54.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 296
Experimental & physicochemical properties
SpringerMaterials PropertiesChemical shift
Physicochemical properties
- Melting point
- 99.2 °C · 99.2 °C (decomp)
- Boiling point
- 426.6 · 426.6±55.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- EWG's Food Scores
- 1 · 1
- FDA UNII
- 6 XKN756 · EDT6XKN756
Chemistry & industry
Suppliers1 total
凯方医药科技有限公司—
Related reactions
8 records
Compound notes
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