(OC-6-21)-[4-(Aminothioxomethyl)phenyl]pentafluorosulfur

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Basic information

CAS: 1020113-66-9
Standard SMILES: NC(=S)c1ccc(S(F)(F)(F)(F)F)cc1
InChIKey: PZFPLMURBZLGPU-UHFFFAOYSA-N
Molecular formula: C7H6F5NS2
Average molar mass: 263.3 g/mol
Monoisotopic mass: 262.98618235

Names & identifiers

Preferred name: (OC-6-21)-[4-(Aminothioxomethyl)phenyl]pentafluorosulfur
IUPAC: 4-(pentafluoro-λ6-sulfanyl)benzenecarbothioamide

Names & synonyms

1020113-66-9(OC-6-21)-[4-(Aminothioxomethyl)phenyl]pentafluorosulfur(OC-6-21)-(4-(Aminothioxomethyl)phenyl)pentafluorosulfurRefChem:2106564-Pentafluorosulfanyl-thiobenzamideSCHEMBL3538445PZFPLMURBZLGPU-UHFFFAOYSA-NDTXSID1012015514-(Pentafluoro-lambda~6~-sulfanyl)benzene-1-carbothioamide

Database identifiers

CAS: 1020113-66-9
PubChem CID: 59296136
DTXSID: DTXSID101201551
Nikkaji: J3.332.113I

Properties

Computed structural properties

XLogP: 5
Topological polar surface area: 59.1 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 6
Rotatable bonds: 1
Heavy atoms: 15
Formal charge: 0
Complexity: 276

Related reactions

1 records

New reaction record

HRID 2233552As reactantuspto-grants-2010_05

Compound notes

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